Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-2-chloro-, 5-oxide, methanesulfonate
TL;DR: Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-2-chloro-, 5-oxide, methanesulfonate (CAS 73225-74-8) is a chemical compound with molecular formula C15H16ClNO4S2 and molecular weight 373.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)azanium;methanesulfonate
Also Known As: 10-Amino-2-chloro-10,11-dihydrodibenzo(b,f)thiepin S-oxide methanesulfonate, 10,11-Dihydro-2-chlorodibenzo(b,f)thiepin-10-amine 5-oxide methanesulfonate, DIBENZO(b,f)THIEPIN-10-AMINE, 10,11-DIHYDRO-2-CHLORO-, 5-OXIDE, METHANESULFONATE, (3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)azanium; methanesulfonate, RefChem:337165
| Molecular Formula | C15H16ClNO4S2 |
|---|---|
| Molecular Weight | 373.02 g/mol |
| LogP | 1.51 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 373.02094 |
| Heavy Atoms | 23 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 73225-74-8 |
|---|---|
| SMILES | CS(=O)(=O)[O-].C1C(C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl)[NH3+] |
| InChIKey | WSDQCVUSJCUNCN-UHFFFAOYSA-N |
Product Overview
Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-2-chloro-, 5-oxide, methanesulfonate (CAS 73225-74-8), with molecular formula C15H16ClNO4S2 and molecular weight 373.02 g/mol. IUPAC: (3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)azanium;methanesulfonate.
Chemical Property Profile of Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-2-chloro-, 5-oxide, methanesulfonate
Property Insights of Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-2-chloro-, 5-oxide, methanesulfonate
The XLogP value of 1.51 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-2-chloro-, 5-oxide, methanesulfonate. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-2-chloro-, 5-oxide, methanesulfonate. Following Lipinski's Rule of Five, Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-2-chloro-, 5-oxide, methanesulfonate has 1 hydrogen bond donor(s) and 5 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 Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-2-chloro-, 5-oxide, methanesulfonate?
The CAS number of Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-2-chloro-, 5-oxide, methanesulfonate is 73225-74-8.
What is the molecular formula of Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-2-chloro-, 5-oxide, methanesulfonate?
The molecular formula of Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-2-chloro-, 5-oxide, methanesulfonate is C15H16ClNO4S2.
What is the molecular weight of Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-2-chloro-, 5-oxide, methanesulfonate?
The molecular weight of Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-2-chloro-, 5-oxide, methanesulfonate is 373.02 g/mol.
Where can I buy Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-2-chloro-, 5-oxide, methanesulfonate?
You can request a quote for Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-2-chloro-, 5-oxide, methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-2-chloro-, 5-oxide, methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-2-chloro-, 5-oxide, methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.