methyl 2-amino-3-(7-chloro-1H-indol-3-yl)propanoate
TL;DR: methyl 2-amino-3-(7-chloro-1H-indol-3-yl)propanoate (CAS 862377-53-5) is a chemical compound with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-3-(7-chloro-1H-indol-3-yl)propanoate
Also Known As: nchembio711-9, methyl 2-amino-3-(7-chloro-1H-indol-3-yl)propanoate, Tryptophan, 7-chloro-, methyl ester, Tryptophan,7-chloro-,methyl ester
| Molecular Formula | C12H13ClN2O2 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 68.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.06656 |
| Heavy Atoms | 17 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 862377-53-5 |
|---|---|
| SMILES | COC(=O)C(CC1=CNC2=C1C=CC=C2Cl)N |
| InChIKey | WCSCFRDQHOTFSS-UHFFFAOYSA-N |
Product Overview
methyl 2-amino-3-(7-chloro-1H-indol-3-yl)propanoate (CAS 862377-53-5), with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol. IUPAC: methyl 2-amino-3-(7-chloro-1H-indol-3-yl)propanoate.
Chemical Property Profile of methyl 2-amino-3-(7-chloro-1H-indol-3-yl)propanoate
Property Insights of methyl 2-amino-3-(7-chloro-1H-indol-3-yl)propanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-amino-3-(7-chloro-1H-indol-3-yl)propanoate. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-amino-3-(7-chloro-1H-indol-3-yl)propanoate. Following Lipinski's Rule of Five, methyl 2-amino-3-(7-chloro-1H-indol-3-yl)propanoate has 2 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 2-amino-3-(7-chloro-1H-indol-3-yl)propanoate?
The CAS number of methyl 2-amino-3-(7-chloro-1H-indol-3-yl)propanoate is 862377-53-5.
What is the molecular formula of methyl 2-amino-3-(7-chloro-1H-indol-3-yl)propanoate?
The molecular formula of methyl 2-amino-3-(7-chloro-1H-indol-3-yl)propanoate is C12H13ClN2O2.
What is the molecular weight of methyl 2-amino-3-(7-chloro-1H-indol-3-yl)propanoate?
The molecular weight of methyl 2-amino-3-(7-chloro-1H-indol-3-yl)propanoate is 252.07 g/mol.
Where can I buy methyl 2-amino-3-(7-chloro-1H-indol-3-yl)propanoate?
You can request a quote for methyl 2-amino-3-(7-chloro-1H-indol-3-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-amino-3-(7-chloro-1H-indol-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-amino-3-(7-chloro-1H-indol-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.