2-氰基-3-(3-甲氧基苯基)丙-2-烯酸
TL;DR: 2-氰基-3-(3-甲氧基苯基)丙-2-烯酸 (CAS 126058-00-2) is a chemical compound with molecular formula C11H9NO3 and molecular weight 203.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氰基-3-(3-甲氧基苯基)丙-2-烯酸
2-cyano-3-(3-methoxyphenyl)prop-2-enoic acid
Also Known As: 2-cyano-3-(3-methoxyphenyl)prop-2-enoic acid, 2-Pyridinealdoxime methochloride, 2-Cyano-3-(3-methoxyphenyl)acrylic acid, 2-Cyano-3-(3-methoxy-phenyl)-acrylic acid, 2-Propenoicacid, 2-cyano-3-(3-methoxyphenyl)-
| Molecular Formula | C11H9NO3 |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.05824 |
| Heavy Atoms | 15 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 126058-00-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C=C(C#N)C(=O)O |
| InChIKey | IMEFWVUNBYJXKG-UHFFFAOYSA-N |
Product Overview
2-氰基-3-(3-甲氧基苯基)丙-2-烯酸 (CAS 126058-00-2), with molecular formula C11H9NO3 and molecular weight 203.06 g/mol. IUPAC: 2-cyano-3-(3-methoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 2-氰基-3-(3-甲氧基苯基)丙-2-烯酸
Property Insights of 2-氰基-3-(3-甲氧基苯基)丙-2-烯酸
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氰基-3-(3-甲氧基苯基)丙-2-烯酸. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氰基-3-(3-甲氧基苯基)丙-2-烯酸. Following Lipinski's Rule of Five, 2-氰基-3-(3-甲氧基苯基)丙-2-烯酸 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-氰基-3-(3-甲氧基苯基)丙-2-烯酸?
The CAS number of 2-氰基-3-(3-甲氧基苯基)丙-2-烯酸 is 126058-00-2.
What is the molecular formula of 2-氰基-3-(3-甲氧基苯基)丙-2-烯酸?
The molecular formula of 2-氰基-3-(3-甲氧基苯基)丙-2-烯酸 is C11H9NO3.
What is the molecular weight of 2-氰基-3-(3-甲氧基苯基)丙-2-烯酸?
The molecular weight of 2-氰基-3-(3-甲氧基苯基)丙-2-烯酸 is 203.06 g/mol.
Where can I buy 2-氰基-3-(3-甲氧基苯基)丙-2-烯酸?
You can request a quote for 2-氰基-3-(3-甲氧基苯基)丙-2-烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氰基-3-(3-甲氧基苯基)丙-2-烯酸?
Yes, KEHONG BIO provides custom synthesis services for 2-氰基-3-(3-甲氧基苯基)丙-2-烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.