RefChem:1072953
TL;DR: RefChem:1072953 (CAS 133276-58-1) is a chemical compound with molecular formula C27H28N2O4S and molecular weight 476.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-6-[2-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-6-pyridin-3-ylhex-5-enoic acid
Also Known As: 6-(2-(4-Toluenesulphonylamino)indan-5-yl)-6-(3-pyridyl)-hex-5-enoic acid, 5-Hexenoic acid, 6-(2,3-dihydro-2-(((4-methylphenyl)sulfonyl)amino)-1H-inden-5-yl)-6-(3-pyridinyl)-, (E)-6-[2-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-6-pyridin-3-ylhex-5-enoic acid, RefChem:1072953
| Molecular Formula | C27H28N2O4S |
|---|---|
| Molecular Weight | 476.18 g/mol |
| LogP | 4.52232 |
| Topological Polar Surface Area | 96.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 476.17697 |
| Heavy Atoms | 34 |
| Complexity | 1300.2166 |
Chemical Identifiers
| CAS Number | 133276-58-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2CC3=C(C2)C=C(C=C3)/C(=C\CCCC(=O)O)/C4=CN=CC=C4 |
Product Overview
RefChem:1072953 (CAS 133276-58-1), with molecular formula C27H28N2O4S and molecular weight 476.18 g/mol. IUPAC: (E)-6-[2-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-6-pyridin-3-ylhex-5-enoic acid.
Chemical Property Profile of RefChem:1072953
Property Insights of RefChem:1072953
The XLogP value of 4.52232 indicates that RefChem:1072953 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.36 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1072953. Following Lipinski's Rule of Five, RefChem:1072953 has 2 hydrogen bond donor(s) and 4 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 RefChem:1072953?
The CAS number of RefChem:1072953 is 133276-58-1.
What is the molecular formula of RefChem:1072953?
The molecular formula of RefChem:1072953 is C27H28N2O4S.
What is the molecular weight of RefChem:1072953?
The molecular weight of RefChem:1072953 is 476.18 g/mol.
Where can I buy RefChem:1072953?
You can request a quote for RefChem:1072953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1072953?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1072953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.