2-乙酰氨基-3-(4-甲氧基苯基)丙-2-烯酸
TL;DR: 2-乙酰氨基-3-(4-甲氧基苯基)丙-2-烯酸 (CAS 646035-04-3) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙酰氨基-3-(4-甲氧基苯基)丙-2-烯酸
2-acetamido-3-(4-methoxyphenyl)prop-2-enoic acid
Also Known As: 2-(acetylamino)-3-(4-methoxyphenyl)acrylic acid, 2-(Acetamido)-3-(4-methoxyphenyl)acrylic acid, 2-acetamido-3-(4-methoxyphenyl)prop-2-enoic acid, (Z)-2-ACETAMIDO-3-(4-METHOXYPHENYL)ACRYLIC ACID, (2E)-2-acetamido-3-(4-methoxyphenyl)prop-2-enoic acid
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 646035-04-3 |
|---|---|
| SMILES | CC(=O)NC(=CC1=CC=C(C=C1)OC)C(=O)O |
| InChIKey | NPEYOJSWXAGTJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙酰氨基-3-(4-甲氧基苯基)丙-2-烯酸 (CAS 646035-04-3), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: 2-acetamido-3-(4-methoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 2-乙酰氨基-3-(4-甲氧基苯基)丙-2-烯酸
Property Insights of 2-乙酰氨基-3-(4-甲氧基苯基)丙-2-烯酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-乙酰氨基-3-(4-甲氧基苯基)丙-2-烯酸. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-乙酰氨基-3-(4-甲氧基苯基)丙-2-烯酸. Following Lipinski's Rule of Five, 2-乙酰氨基-3-(4-甲氧基苯基)丙-2-烯酸 has 2 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-乙酰氨基-3-(4-甲氧基苯基)丙-2-烯酸?
The CAS number of 2-乙酰氨基-3-(4-甲氧基苯基)丙-2-烯酸 is 646035-04-3.
What is the molecular formula of 2-乙酰氨基-3-(4-甲氧基苯基)丙-2-烯酸?
The molecular formula of 2-乙酰氨基-3-(4-甲氧基苯基)丙-2-烯酸 is C12H13NO4.
What is the molecular weight of 2-乙酰氨基-3-(4-甲氧基苯基)丙-2-烯酸?
The molecular weight of 2-乙酰氨基-3-(4-甲氧基苯基)丙-2-烯酸 is 235.08 g/mol.
Where can I buy 2-乙酰氨基-3-(4-甲氧基苯基)丙-2-烯酸?
You can request a quote for 2-乙酰氨基-3-(4-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-乙酰氨基-3-(4-甲氧基苯基)丙-2-烯酸?
Yes, KEHONG BIO provides custom synthesis services for 2-乙酰氨基-3-(4-甲氧基苯基)丙-2-烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.