1,4-Benzothiazepin-3(2H)-one, 4,5-dihydro-
TL;DR: 1,4-Benzothiazepin-3(2H)-one, 4,5-dihydro- (CAS 103693-32-9) is a chemical compound with molecular formula C9H9NOS and molecular weight 179.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dihydro-1,4-benzothiazepin-3-one
Also Known As: 4,5-dihydro-1,4-benzothiazepin-3-one, 1,4-Benzothiazepin-3(2H)-one, 4,5-dihydro-, 4,5-Dihydro-1,4-benzothiazepin-3(2H)-one, 2,3,4,5-tetrahydro-1,4-benzothiazepin-3-one, 4,5-Dihydro-1,4-benzothiazepine-3(2H)-one
| Molecular Formula | C9H9NOS |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 1.4085 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.04048 |
| Heavy Atoms | 12 |
| Complexity | 282.15176 |
Chemical Identifiers
| CAS Number | 103693-32-9 |
|---|---|
| SMILES | C1C2=CC=CC=C2SCC(=O)N1 |
Product Overview
1,4-Benzothiazepin-3(2H)-one, 4,5-dihydro- (CAS 103693-32-9), with molecular formula C9H9NOS and molecular weight 179.04 g/mol. IUPAC: 4,5-dihydro-1,4-benzothiazepin-3-one.
Chemical Property Profile of 1,4-Benzothiazepin-3(2H)-one, 4,5-dihydro-
Property Insights of 1,4-Benzothiazepin-3(2H)-one, 4,5-dihydro-
The XLogP value of 1.4085 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzothiazepin-3(2H)-one, 4,5-dihydro-. With a topological polar surface area (TPSA) of 29.1 Ų, 1,4-Benzothiazepin-3(2H)-one, 4,5-dihydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzothiazepin-3(2H)-one, 4,5-dihydro- has 1 hydrogen bond donor(s) and 2 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 1,4-Benzothiazepin-3(2H)-one, 4,5-dihydro-?
The CAS number of 1,4-Benzothiazepin-3(2H)-one, 4,5-dihydro- is 103693-32-9.
What is the molecular formula of 1,4-Benzothiazepin-3(2H)-one, 4,5-dihydro-?
The molecular formula of 1,4-Benzothiazepin-3(2H)-one, 4,5-dihydro- is C9H9NOS.
What is the molecular weight of 1,4-Benzothiazepin-3(2H)-one, 4,5-dihydro-?
The molecular weight of 1,4-Benzothiazepin-3(2H)-one, 4,5-dihydro- is 179.04 g/mol.
Where can I buy 1,4-Benzothiazepin-3(2H)-one, 4,5-dihydro-?
You can request a quote for 1,4-Benzothiazepin-3(2H)-one, 4,5-dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzothiazepin-3(2H)-one, 4,5-dihydro-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzothiazepin-3(2H)-one, 4,5-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.