BAS 12414430
TL;DR: BAS 12414430 (CAS 880808-30-0) is a chemical compound with molecular formula C14H20ClN5O2S and molecular weight 357.10263 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
Also Known As: BAS 12414430, AN-465/42834714, N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine, N-(3-chloro-5-ethoxy-4-methoxybenzyl)-N-{2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]ethyl}amine, [(3-CHLORO-5-ETHOXY-4-METHOXYPHENYL)METHYL]({2-[(1-METHYL-1H-1,2,3,4-TETRAZOL-5-YL)SULFANYL]ETHYL})AMINE
Technical Specifications
| Molecular Formula | C14H20ClN5O2S |
| Molecular Weight | 357.10263 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 99.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 357.10263 Da |
| Heavy Atoms | 23 |
| Complexity | 344.0 |
| SMILES | CCOC1=C(C(=CC(=C1)CNCCSC2=NN=NN2C)Cl)OC |
| InChIKey | WCXQCOJBAKHXBV-UHFFFAOYSA-N |
Chemical Property Profile of BAS 12414430
Property Insights of BAS 12414430
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12414430. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12414430. Following Lipinski's Rule of Five, BAS 12414430 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BAS 12414430?
The CAS number of BAS 12414430 is 880808-30-0.
What is the molecular formula of BAS 12414430?
The molecular formula of BAS 12414430 is C14H20ClN5O2S.
What is the molecular weight of BAS 12414430?
The molecular weight of BAS 12414430 is 357.10263 g/mol.
Where can I buy BAS 12414430?
You can request a quote for BAS 12414430 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 12414430?
Yes, CoreyChem provides custom synthesis services for BAS 12414430 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.