Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-2-chloro-
TL;DR: Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-2-chloro- (CAS 87033-45-2) is a chemical compound with molecular formula C15H11ClO2S and molecular weight 290.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1,2-dihydrobenzo[b][1]benzothiepine-6-carboxylic acid
Also Known As: DIBENZO(b,f)THIEPIN-10-CARBOXYLIC ACID, 10,11-DIHYDRO-2-CHLORO-, 10,11-Dihydro-2-chlorodibenzo(b,f)thiepin-10-carboxylic acid, 2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-carboxylic acid, 2-chloro-3,4-dihydrodibenzo[b,f]thiepine-10-carboxylic acid, 3-chloro-1,2-dihydrobenzo[b][1]benzothiepine-6-carboxylic acid
| Molecular Formula | C15H11ClO2S |
|---|---|
| Molecular Weight | 290.02 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.0168 |
| Heavy Atoms | 19 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 87033-45-2 |
|---|---|
| SMILES | C1CC2=C(C=C1Cl)C=C(C3=CC=CC=C3S2)C(=O)O |
| InChIKey | UDULSEXXHDFOIO-UHFFFAOYSA-N |
Product Overview
Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-2-chloro- (CAS 87033-45-2), with molecular formula C15H11ClO2S and molecular weight 290.02 g/mol. IUPAC: 3-chloro-1,2-dihydrobenzo[b][1]benzothiepine-6-carboxylic acid.
Chemical Property Profile of Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-2-chloro-
Property Insights of Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-2-chloro-
The XLogP value of 3.6 indicates that Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-2-chloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-2-chloro-. Following Lipinski's Rule of Five, Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-2-chloro- has 1 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-carboxylic acid, 10,11-dihydro-2-chloro-?
The CAS number of Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-2-chloro- is 87033-45-2.
What is the molecular formula of Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-2-chloro-?
The molecular formula of Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-2-chloro- is C15H11ClO2S.
What is the molecular weight of Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-2-chloro-?
The molecular weight of Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-2-chloro- is 290.02 g/mol.
Where can I buy Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-2-chloro-?
You can request a quote for Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-2-chloro- 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-carboxylic acid, 10,11-dihydro-2-chloro-?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-2-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.