RefChem:220124
TL;DR: RefChem:220124 (CAS 3362-08-1) is a chemical compound with molecular formula C15H12ClNO3S and molecular weight 321.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-9b-phenyl-3,4-dihydrooxazireno[2,3-d][1,4]benzothiazepine 5,5-dioxide
Also Known As: 7-Chloro-4,5-epoxy-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepine 1,1-dioxide, 1,4-Benzothiazepine, 2,3,4,5-tetrahydro-7-chloro-4,5-epoxy-5-phenyl-, 1,1-dioxide, 8-Chloro-3,4-dihydro-9b-phenyl-9bH-oxazirino[2,3-d][1,4]benzothiazepine5,5-dioxide, 8-chloro-9b-phenyl-3,4-dihydrooxazireno[2,3-d][1,4]benzothiazepine 5,5-dioxide, 8-Chloro-9b-phenyl-3,4-dihydro-5lambda~6~-oxazireno[2,3-d][1,4]benzothiazepine-5,5(9bH)-dione
| Molecular Formula | C15H12ClNO3S |
|---|---|
| Molecular Weight | 321.02 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.02264 |
| Heavy Atoms | 21 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 3362-08-1 |
|---|---|
| SMILES | C1CS(=O)(=O)C2=C(C=C(C=C2)Cl)C3(N1O3)C4=CC=CC=C4 |
| InChIKey | KPSPYIGRPWPSPY-UHFFFAOYSA-N |
Product Overview
RefChem:220124 (CAS 3362-08-1), with molecular formula C15H12ClNO3S and molecular weight 321.02 g/mol. IUPAC: 8-chloro-9b-phenyl-3,4-dihydrooxazireno[2,3-d][1,4]benzothiazepine 5,5-dioxide.
Chemical Property Profile of RefChem:220124
Property Insights of RefChem:220124
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:220124. With a topological polar surface area (TPSA) of 58.1 Ų, RefChem:220124 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:220124 has 0 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:220124?
The CAS number of RefChem:220124 is 3362-08-1.
What is the molecular formula of RefChem:220124?
The molecular formula of RefChem:220124 is C15H12ClNO3S.
What is the molecular weight of RefChem:220124?
The molecular weight of RefChem:220124 is 321.02 g/mol.
Where can I buy RefChem:220124?
You can request a quote for RefChem:220124 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:220124?
Yes, KEHONG BIO provides custom synthesis services for RefChem:220124 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.