Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-11-amino-, hydrochloride, hydrate
TL;DR: Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-11-amino-, hydrochloride, hydrate (CAS 16946-57-9) is a chemical compound with molecular formula C14H14ClNOS and molecular weight 279.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)azanium chloride
Also Known As: 10,11-Dihydro-11-aminodibenzo(b,f)thiepin-10-ol hydrochloride hydrate, 11-Amino-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrochloride monohydrate, (5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)azanium chloride, DIBENZO(b,f)THIEPIN-10-OL, 10,11-DIHYDRO-11-AMINO-, HYDROCHLORIDE, HYDRATE, RefChem:337176
| Molecular Formula | C14H14ClNOS |
|---|---|
| Molecular Weight | 279.05 g/mol |
| LogP | -0.83 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 279.04846 |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 16946-57-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C(C3=CC=CC=C3S2)O)[NH3+].[Cl-] |
| InChIKey | XRRKWCPTCNWRBY-UHFFFAOYSA-N |
Product Overview
Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-11-amino-, hydrochloride, hydrate (CAS 16946-57-9), with molecular formula C14H14ClNOS and molecular weight 279.05 g/mol. IUPAC: (5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)azanium chloride.
Chemical Property Profile of Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-11-amino-, hydrochloride, hydrate
Property Insights of Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-11-amino-, hydrochloride, hydrate
The XLogP value of -0.83 indicates that Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-11-amino-, hydrochloride, hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-11-amino-, hydrochloride, hydrate. Following Lipinski's Rule of Five, Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-11-amino-, hydrochloride, hydrate has 2 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 Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-11-amino-, hydrochloride, hydrate?
The CAS number of Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-11-amino-, hydrochloride, hydrate is 16946-57-9.
What is the molecular formula of Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-11-amino-, hydrochloride, hydrate?
The molecular formula of Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-11-amino-, hydrochloride, hydrate is C14H14ClNOS.
What is the molecular weight of Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-11-amino-, hydrochloride, hydrate?
The molecular weight of Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-11-amino-, hydrochloride, hydrate is 279.05 g/mol.
Where can I buy Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-11-amino-, hydrochloride, hydrate?
You can request a quote for Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-11-amino-, hydrochloride, hydrate 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-ol, 10,11-dihydro-11-amino-, hydrochloride, hydrate?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-11-amino-, hydrochloride, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.