2,3-dihydro-2,2-dimethyl-1,5-benzothiazepin-4(5H)-one
TL;DR: 2,3-dihydro-2,2-dimethyl-1,5-benzothiazepin-4(5H)-one (CAS 40334-89-2) is a chemical compound with molecular formula C11H13NOS and molecular weight 207.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-3,5-dihydro-1,5-benzothiazepin-4-one
Also Known As: 2,2-dimethyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one, 2,2-dimethyl-3,5-dihydro-1,5-benzothiazepin-4-one, 2,3-dihydro-2,2-dimethyl-1,5-benzothiazepin-4(5H)-one, 2,2-dimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one, AJ-091/33281034
| Molecular Formula | C11H13NOS |
|---|---|
| Molecular Weight | 207.07 g/mol |
| LogP | 2.8995 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 207.0718 |
| Heavy Atoms | 14 |
| Complexity | 373.3052 |
Chemical Identifiers
| CAS Number | 40334-89-2 |
|---|---|
| SMILES | CC1(CC(=O)NC2=CC=CC=C2S1)C |
Product Overview
2,3-dihydro-2,2-dimethyl-1,5-benzothiazepin-4(5H)-one (CAS 40334-89-2), with molecular formula C11H13NOS and molecular weight 207.07 g/mol. IUPAC: 2,2-dimethyl-3,5-dihydro-1,5-benzothiazepin-4-one.
Chemical Property Profile of 2,3-dihydro-2,2-dimethyl-1,5-benzothiazepin-4(5H)-one
Property Insights of 2,3-dihydro-2,2-dimethyl-1,5-benzothiazepin-4(5H)-one
The XLogP value of 2.8995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-dihydro-2,2-dimethyl-1,5-benzothiazepin-4(5H)-one. With a topological polar surface area (TPSA) of 29.1 Ų, 2,3-dihydro-2,2-dimethyl-1,5-benzothiazepin-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-dihydro-2,2-dimethyl-1,5-benzothiazepin-4(5H)-one 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 2,3-dihydro-2,2-dimethyl-1,5-benzothiazepin-4(5H)-one?
The CAS number of 2,3-dihydro-2,2-dimethyl-1,5-benzothiazepin-4(5H)-one is 40334-89-2.
What is the molecular formula of 2,3-dihydro-2,2-dimethyl-1,5-benzothiazepin-4(5H)-one?
The molecular formula of 2,3-dihydro-2,2-dimethyl-1,5-benzothiazepin-4(5H)-one is C11H13NOS.
What is the molecular weight of 2,3-dihydro-2,2-dimethyl-1,5-benzothiazepin-4(5H)-one?
The molecular weight of 2,3-dihydro-2,2-dimethyl-1,5-benzothiazepin-4(5H)-one is 207.07 g/mol.
Where can I buy 2,3-dihydro-2,2-dimethyl-1,5-benzothiazepin-4(5H)-one?
You can request a quote for 2,3-dihydro-2,2-dimethyl-1,5-benzothiazepin-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-dihydro-2,2-dimethyl-1,5-benzothiazepin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3-dihydro-2,2-dimethyl-1,5-benzothiazepin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.