264W94
TL;DR: 264W94 (CAS 178259-25-1) is a chemical compound with molecular formula C23H31NO4S and molecular weight 417.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5R)-3-butyl-3-ethyl-7,8-dimethoxy-5-phenyl-4,5-dihydro-2H-1λ6,4-benzothiazepine 1,1-dioxide
Also Known As: (-)-(3R,5R)-trans-3-Butyl-3-ethyl-2,3,4,5-tetrahydro-7,8-dimethoxy-5-phenyl-1,4-benzothiazepine, 1,1-dioxide, 1,4-Benzothiazepine, 3-butyl-3-ethyl-2,3,4,5-tetrahydro-7,8-dimethoxy-5-phenyl-, 1,1-dioxide, (3R,5R)-, 1,4-Benzothiazepine, 3-butyl-3-ethyl-2,3,4,5-tetrahydro-7,8-dimethoxy-5-phenyl-, 1,1-dioxide, (3R-trans)-, (3R,5R)-3-butyl-3-ethyl-7,8-dimethoxy-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepine 1,1-dioxide, Rel-(3R,5R)-3-butyl-3-ethyl-7,8-dimethoxy-5-phenyl-2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine 1,1-dioxide
| Molecular Formula | C23H31NO4S |
|---|---|
| Molecular Weight | 417.20 g/mol |
| LogP | 4.5091 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.1974 |
| Heavy Atoms | 29 |
| Complexity | 942.8502 |
Chemical Identifiers
| CAS Number | 178259-25-1 |
|---|---|
| SMILES | CCCC[C@@]1(CS(=O)(=O)C2=CC(=C(C=C2[C@H](N1)C3=CC=CC=C3)OC)OC)CC |
Product Overview
264W94 (CAS 178259-25-1), with molecular formula C23H31NO4S and molecular weight 417.20 g/mol. IUPAC: (3R,5R)-3-butyl-3-ethyl-7,8-dimethoxy-5-phenyl-4,5-dihydro-2H-1λ6,4-benzothiazepine 1,1-dioxide.
Chemical Property Profile of 264W94
Property Insights of 264W94
The XLogP value of 4.5091 indicates that 264W94 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 264W94. Following Lipinski's Rule of Five, 264W94 has 1 hydrogen bond donor(s) and 5 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 264W94?
The CAS number of 264W94 is 178259-25-1.
What is the molecular formula of 264W94?
The molecular formula of 264W94 is C23H31NO4S.
What is the molecular weight of 264W94?
The molecular weight of 264W94 is 417.20 g/mol.
Where can I buy 264W94?
You can request a quote for 264W94 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 264W94?
Yes, KEHONG BIO provides custom synthesis services for 264W94 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.