2-Butenedioic acid (Z)-, ester with 1,2-propanediol
TL;DR: 2-Butenedioic acid (Z)-, ester with 1,2-propanediol (CAS 51899-00-4) is a chemical compound with molecular formula C7H12O6 and molecular weight 192.06339 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-but-2-enedioic acid;propane-1,2-diol
Also Known As: EINECS 257-505-6, but-2-enedioic acid; propane-1,2-diol, 2-Butenedioic acid (Z)-, ester with 1,2-propanediol, (Z)-but-2-enedioic acid; propane-1,2-diol
Technical Specifications
| Molecular Formula | C7H12O6 |
| Molecular Weight | 192.06339 g/mol |
| XLogP | -0.9287 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.06339 Da |
| Heavy Atoms | 13 |
| Complexity | 140.0 |
| SMILES | CC(CO)O.C(=C\C(=O)O)\C(=O)O |
| InChIKey | BTNYBNHUZOZYTA-ODZAUARKSA-N |
Chemical Property Profile of 2-Butenedioic acid (Z)-, ester with 1,2-propanediol
Property Insights of 2-Butenedioic acid (Z)-, ester with 1,2-propanediol
The XLogP value of -0.9287 indicates that 2-Butenedioic acid (Z)-, ester with 1,2-propanediol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenedioic acid (Z)-, ester with 1,2-propanediol. Following Lipinski's Rule of Five, 2-Butenedioic acid (Z)-, ester with 1,2-propanediol has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Butenedioic acid (Z)-, ester with 1,2-propanediol?
The CAS number of 2-Butenedioic acid (Z)-, ester with 1,2-propanediol is 51899-00-4.
What is the molecular formula of 2-Butenedioic acid (Z)-, ester with 1,2-propanediol?
The molecular formula of 2-Butenedioic acid (Z)-, ester with 1,2-propanediol is C7H12O6.
What is the molecular weight of 2-Butenedioic acid (Z)-, ester with 1,2-propanediol?
The molecular weight of 2-Butenedioic acid (Z)-, ester with 1,2-propanediol is 192.06339 g/mol.
Where can I buy 2-Butenedioic acid (Z)-, ester with 1,2-propanediol?
You can request a quote for 2-Butenedioic acid (Z)-, ester with 1,2-propanediol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butenedioic acid (Z)-, ester with 1,2-propanediol?
Yes, CoreyChem provides custom synthesis services for 2-Butenedioic acid (Z)-, ester with 1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.