4-甲氧基亚苄基氰基乙酸
TL;DR: 4-甲氧基亚苄基氰基乙酸 (CAS 1089301-34-7) 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.
4-甲氧基亚苄基氰基乙酸
2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid
Also Known As: alpha-Cyano-4-methoxycinnamic acid, DivK1c_004676, 4-methoxybenzalcyanoacetic acid, a-cyano-4-methoxycinnamic acid, 2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid
| Molecular Formula | C11H9NO3 |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 1.8 |
| 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 | 305.0 |
Chemical Identifiers
| CAS Number | 1089301-34-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C=C(C#N)C(=O)O |
| InChIKey | KMHNRJDDHTZZDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲氧基亚苄基氰基乙酸 (CAS 1089301-34-7), with molecular formula C11H9NO3 and molecular weight 203.06 g/mol. IUPAC: 2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 4-甲氧基亚苄基氰基乙酸
Property Insights of 4-甲氧基亚苄基氰基乙酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲氧基亚苄基氰基乙酸. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-甲氧基亚苄基氰基乙酸. Following Lipinski's Rule of Five, 4-甲氧基亚苄基氰基乙酸 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 4-甲氧基亚苄基氰基乙酸?
The CAS number of 4-甲氧基亚苄基氰基乙酸 is 1089301-34-7.
What is the molecular formula of 4-甲氧基亚苄基氰基乙酸?
The molecular formula of 4-甲氧基亚苄基氰基乙酸 is C11H9NO3.
What is the molecular weight of 4-甲氧基亚苄基氰基乙酸?
The molecular weight of 4-甲氧基亚苄基氰基乙酸 is 203.06 g/mol.
Where can I buy 4-甲氧基亚苄基氰基乙酸?
You can request a quote for 4-甲氧基亚苄基氰基乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲氧基亚苄基氰基乙酸?
Yes, KEHONG BIO provides custom synthesis services for 4-甲氧基亚苄基氰基乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.