10-Propyl-S,S-dioxo-dibenz(b,f)(1,4)thiazepin-11-(10H)-one
TL;DR: 10-Propyl-S,S-dioxo-dibenz(b,f)(1,4)thiazepin-11-(10H)-one (CAS 140412-82-4) is a chemical compound with molecular formula C16H15NO3S and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,11-dioxo-5-propylbenzo[b][1,4]benzothiazepin-6-one
Also Known As: 10Pr-SO2-DBTA-11one, 10-Propyl-S,S-dioxo-dibenz(b,f)(1,4)thiazepin-11-(10H)-one, 11,11-dioxo-5-propylbenzo[b][1,4]benzothiazepin-6-one, 11,11-dioxo-5-propyl-benzo[b][1,4]benzothiazepin-6-one, 10-Propyl-S,S-dioxo-dibenz[b,f][1,4]thiazepin-11-(10H)-one
| Molecular Formula | C16H15NO3S |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.07727 |
| Heavy Atoms | 21 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 140412-82-4 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C3C1=O |
| InChIKey | NZWVRMQAAMOLTK-UHFFFAOYSA-N |
Product Overview
10-Propyl-S,S-dioxo-dibenz(b,f)(1,4)thiazepin-11-(10H)-one (CAS 140412-82-4), with molecular formula C16H15NO3S and molecular weight 301.08 g/mol. IUPAC: 11,11-dioxo-5-propylbenzo[b][1,4]benzothiazepin-6-one.
Chemical Property Profile of 10-Propyl-S,S-dioxo-dibenz(b,f)(1,4)thiazepin-11-(10H)-one
Property Insights of 10-Propyl-S,S-dioxo-dibenz(b,f)(1,4)thiazepin-11-(10H)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-Propyl-S,S-dioxo-dibenz(b,f)(1,4)thiazepin-11-(10H)-one. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-Propyl-S,S-dioxo-dibenz(b,f)(1,4)thiazepin-11-(10H)-one. Following Lipinski's Rule of Five, 10-Propyl-S,S-dioxo-dibenz(b,f)(1,4)thiazepin-11-(10H)-one 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 10-Propyl-S,S-dioxo-dibenz(b,f)(1,4)thiazepin-11-(10H)-one?
The CAS number of 10-Propyl-S,S-dioxo-dibenz(b,f)(1,4)thiazepin-11-(10H)-one is 140412-82-4.
What is the molecular formula of 10-Propyl-S,S-dioxo-dibenz(b,f)(1,4)thiazepin-11-(10H)-one?
The molecular formula of 10-Propyl-S,S-dioxo-dibenz(b,f)(1,4)thiazepin-11-(10H)-one is C16H15NO3S.
What is the molecular weight of 10-Propyl-S,S-dioxo-dibenz(b,f)(1,4)thiazepin-11-(10H)-one?
The molecular weight of 10-Propyl-S,S-dioxo-dibenz(b,f)(1,4)thiazepin-11-(10H)-one is 301.08 g/mol.
Where can I buy 10-Propyl-S,S-dioxo-dibenz(b,f)(1,4)thiazepin-11-(10H)-one?
You can request a quote for 10-Propyl-S,S-dioxo-dibenz(b,f)(1,4)thiazepin-11-(10H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Propyl-S,S-dioxo-dibenz(b,f)(1,4)thiazepin-11-(10H)-one?
Yes, KEHONG BIO provides custom synthesis services for 10-Propyl-S,S-dioxo-dibenz(b,f)(1,4)thiazepin-11-(10H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.