![6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate structure](/static/products/117/1173675-50-7.png)
6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate
TL;DR: 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate (CAS 1173675-50-7) is a chemical compound with molecular formula C28H26ClNO6S and molecular weight 539.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-2-oxo-4-phenylchromen-7-yl) (2S,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
Also Known As: 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate, (2S,3R)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)pentanoate, (6-chloro-2-oxo-4-phenylchromen-7-yl) (2S,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
| Molecular Formula | C28H26ClNO6S |
|---|---|
| Molecular Weight | 539.12 g/mol |
| LogP | 5.72042 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 539.11694 |
| Heavy Atoms | 37 |
| Complexity | 1598.0525 |
Chemical Identifiers
| CAS Number | 1173675-50-7 |
|---|---|
| SMILES | CC[C@@H](C)[C@@H](C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl)NS(=O)(=O)C4=CC=C(C=C4)C |
Product Overview
6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate (CAS 1173675-50-7), with molecular formula C28H26ClNO6S and molecular weight 539.12 g/mol. IUPAC: (6-chloro-2-oxo-4-phenylchromen-7-yl) (2S,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate.
Chemical Property Profile of 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate
Property Insights of 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate
The XLogP value of 5.72042 indicates that 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate. Following Lipinski's Rule of Five, 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate has 1 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 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate?
The CAS number of 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate is 1173675-50-7.
What is the molecular formula of 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate?
The molecular formula of 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate is C28H26ClNO6S.
What is the molecular weight of 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate?
The molecular weight of 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate is 539.12 g/mol.
Where can I buy 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate?
You can request a quote for 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.