(S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate
TL;DR: (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate (CAS 956045-90-2) is a chemical compound with molecular formula C29H23ClN2O6 and molecular weight 530.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-4-methyl-2-oxochromen-7-yl) (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate
Also Known As: (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate, 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-L-tryptophanate, (6-chloro-4-methyl-2-oxo-chromen-7-yl) 3-(1H-indol-3-yl)-2-phenylmethoxycarbonylamino-propanoate, (6-chloro-4-methyl-2-oxochromen-7-yl) (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate
| Molecular Formula | C29H23ClN2O6 |
|---|---|
| Molecular Weight | 530.12 g/mol |
| LogP | 5.67922 |
| Topological Polar Surface Area | 110.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 530.12445 |
| Heavy Atoms | 38 |
| Complexity | 1692.5472 |
Chemical Identifiers
| CAS Number | 956045-90-2 |
|---|---|
| SMILES | CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5 |
Product Overview
(S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate (CAS 956045-90-2), with molecular formula C29H23ClN2O6 and molecular weight 530.12 g/mol. IUPAC: (6-chloro-4-methyl-2-oxochromen-7-yl) (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate
Property Insights of (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate
The XLogP value of 5.67922 indicates that (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate. Following Lipinski's Rule of Five, (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate?
The CAS number of (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate is 956045-90-2.
What is the molecular formula of (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate?
The molecular formula of (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate is C29H23ClN2O6.
What is the molecular weight of (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate?
The molecular weight of (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate is 530.12 g/mol.
Where can I buy (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate?
You can request a quote for (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(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 (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.