methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate
TL;DR: methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate (CAS 167887-40-3) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate
Also Known As: methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate, J1.091.440J, Methyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate, (3S)-3-(3,4-Dimethoxyphenyl)-beta-alanine methyl ester, (S)-methyl 3-amino-3-(3,4-dimethoxyphenyl)-propionate
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | 1.2667 |
| Topological Polar Surface Area | 70.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 392.09207 |
Chemical Identifiers
| CAS Number | 167887-40-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[C@H](CC(=O)OC)N)OC |
Product Overview
methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate (CAS 167887-40-3), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate.
Chemical Property Profile of methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate
Property Insights of methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate
The XLogP value of 1.2667 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate. The TPSA of 70.78 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate. Following Lipinski's Rule of Five, methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate has 1 hydrogen bond donor(s) and 5 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 methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate?
The CAS number of methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate is 167887-40-3.
What is the molecular formula of methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate?
The molecular formula of methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate is C12H17NO4.
What is the molecular weight of methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate?
The molecular weight of methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate is 239.12 g/mol.
Where can I buy methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate?
You can request a quote for methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.