methyl (3S)-3-amino-3-(2,4-dichlorophenyl)propanoate
TL;DR: methyl (3S)-3-amino-3-(2,4-dichlorophenyl)propanoate (CAS 1213183-45-9) is a chemical compound with molecular formula C10H11Cl2NO2 and molecular weight 247.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3S)-3-amino-3-(2,4-dichlorophenyl)propanoate
Also Known As: methyl (3S)-3-amino-3-(2,4-dichlorophenyl)propanoate, methyl 3-amino-3-(2,4-dichlorophenyl)propanoate, Methyl (I(2)S)-I(2)-amino-2,4-dichlorobenzenepropanoate
| Molecular Formula | C10H11Cl2NO2 |
|---|---|
| Molecular Weight | 247.02 g/mol |
| LogP | 2.5563 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.01668 |
| Heavy Atoms | 15 |
| Complexity | 368.44006 |
Chemical Identifiers
| CAS Number | 1213183-45-9 |
|---|---|
| SMILES | COC(=O)C[C@@H](C1=C(C=C(C=C1)Cl)Cl)N |
Product Overview
methyl (3S)-3-amino-3-(2,4-dichlorophenyl)propanoate (CAS 1213183-45-9), with molecular formula C10H11Cl2NO2 and molecular weight 247.02 g/mol. IUPAC: methyl (3S)-3-amino-3-(2,4-dichlorophenyl)propanoate.
Chemical Property Profile of methyl (3S)-3-amino-3-(2,4-dichlorophenyl)propanoate
Property Insights of methyl (3S)-3-amino-3-(2,4-dichlorophenyl)propanoate
The XLogP value of 2.5563 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (3S)-3-amino-3-(2,4-dichlorophenyl)propanoate. With a topological polar surface area (TPSA) of 52.32 Ų, methyl (3S)-3-amino-3-(2,4-dichlorophenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (3S)-3-amino-3-(2,4-dichlorophenyl)propanoate has 1 hydrogen bond donor(s) and 3 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-(2,4-dichlorophenyl)propanoate?
The CAS number of methyl (3S)-3-amino-3-(2,4-dichlorophenyl)propanoate is 1213183-45-9.
What is the molecular formula of methyl (3S)-3-amino-3-(2,4-dichlorophenyl)propanoate?
The molecular formula of methyl (3S)-3-amino-3-(2,4-dichlorophenyl)propanoate is C10H11Cl2NO2.
What is the molecular weight of methyl (3S)-3-amino-3-(2,4-dichlorophenyl)propanoate?
The molecular weight of methyl (3S)-3-amino-3-(2,4-dichlorophenyl)propanoate is 247.02 g/mol.
Where can I buy methyl (3S)-3-amino-3-(2,4-dichlorophenyl)propanoate?
You can request a quote for methyl (3S)-3-amino-3-(2,4-dichlorophenyl)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-(2,4-dichlorophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (3S)-3-amino-3-(2,4-dichlorophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.