1,5-Benzothiazepin-2(3H)-one, 4-methyl-
TL;DR: 1,5-Benzothiazepin-2(3H)-one, 4-methyl- (CAS 63870-01-9) is a chemical compound with molecular formula C10H9NOS and molecular weight 191.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3H-1,5-benzothiazepin-2-one
Also Known As: 4-Methyl-1,5-benzothiazepin-2(3H)-one, 1,2-Epoxy-3-propyl acetate, 1,5-Benzothiazepin-2(3H)-one, 4-methyl-, 4-methyl-3H-1,5-benzothiazepin-2-one, 4-methylbenzo[b][1,4]thiazepin-2(3H)-one
| Molecular Formula | C10H9NOS |
|---|---|
| Molecular Weight | 191.04 g/mol |
| LogP | 2.8014 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.04048 |
| Heavy Atoms | 13 |
| Complexity | 384.26605 |
Chemical Identifiers
| CAS Number | 63870-01-9 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2SC(=O)C1 |
Product Overview
1,5-Benzothiazepin-2(3H)-one, 4-methyl- (CAS 63870-01-9), with molecular formula C10H9NOS and molecular weight 191.04 g/mol. IUPAC: 4-methyl-3H-1,5-benzothiazepin-2-one.
Chemical Property Profile of 1,5-Benzothiazepin-2(3H)-one, 4-methyl-
Property Insights of 1,5-Benzothiazepin-2(3H)-one, 4-methyl-
The XLogP value of 2.8014 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Benzothiazepin-2(3H)-one, 4-methyl-. With a topological polar surface area (TPSA) of 29.43 Ų, 1,5-Benzothiazepin-2(3H)-one, 4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Benzothiazepin-2(3H)-one, 4-methyl- has 0 hydrogen bond donor(s) and 3 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 1,5-Benzothiazepin-2(3H)-one, 4-methyl-?
The CAS number of 1,5-Benzothiazepin-2(3H)-one, 4-methyl- is 63870-01-9.
What is the molecular formula of 1,5-Benzothiazepin-2(3H)-one, 4-methyl-?
The molecular formula of 1,5-Benzothiazepin-2(3H)-one, 4-methyl- is C10H9NOS.
What is the molecular weight of 1,5-Benzothiazepin-2(3H)-one, 4-methyl-?
The molecular weight of 1,5-Benzothiazepin-2(3H)-one, 4-methyl- is 191.04 g/mol.
Where can I buy 1,5-Benzothiazepin-2(3H)-one, 4-methyl-?
You can request a quote for 1,5-Benzothiazepin-2(3H)-one, 4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Benzothiazepin-2(3H)-one, 4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Benzothiazepin-2(3H)-one, 4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.