N-nitratopivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester
TL;DR: N-nitratopivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester (CAS 139146-66-0) is a chemical compound with molecular formula C15H25N3O8S and molecular weight 407.13623 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-acetamidopropanoic acid;[3-[[(2R)-1-ethenoxy-3-sulfanylidenepropan-2-yl]amino]-2,2-dimethyl-3-oxopropyl] nitrate
Also Known As: Spm 5185, N-Nitratopivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester, N-nitratopivaloyl-S-(N/'-acetylalanyl)-cysteine ethyl ester, (2S)-2-acetamidopropanoic acid;[3-[[(2R)-1-ethenoxy-3-sulfanylidenepropan-2-yl]amino]-2,2-dimethyl-3-oxopropyl] nitrate, (2S)-2-acetamidopropanoic acid; [3-[[(2R)-1-ethenoxy-3-sulfanylidenepropan-2-yl]amino]-2,2-dimethyl-3-oxopropyl] nitrate
Technical Specifications
| Molecular Formula | C15H25N3O8S |
| Molecular Weight | 407.13623 g/mol |
| XLogP | 0.4611 |
| Topological Polar Surface Area (TPSA) | 192.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 407.13623 Da |
| Heavy Atoms | 27 |
| Complexity | 459.0 |
| SMILES | C[C@@H](C(=O)O)NC(=O)C.CC(C)(CO[N+](=O)[O-])C(=O)N[C@H](COC=C)C=S |
| InChIKey | ZONOMVGGONAQQA-QTBHSTJXSA-N |
Chemical Property Profile of N-nitratopivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester
Property Insights of N-nitratopivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester
The XLogP value of 0.4611 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-nitratopivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester. The TPSA of 192.0 Ų indicates high polarity, suggesting N-nitratopivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-nitratopivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-nitratopivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester?
The CAS number of N-nitratopivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester is 139146-66-0.
What is the molecular formula of N-nitratopivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester?
The molecular formula of N-nitratopivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester is C15H25N3O8S.
What is the molecular weight of N-nitratopivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester?
The molecular weight of N-nitratopivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester is 407.13623 g/mol.
Where can I buy N-nitratopivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester?
You can request a quote for N-nitratopivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-nitratopivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester?
Yes, CoreyChem provides custom synthesis services for N-nitratopivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.