Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-
TL;DR: Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro- (CAS 87033-44-1) is a chemical compound with molecular formula C15H12O2S and molecular weight 256.0558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,6-dihydrobenzo[b][1]benzothiepine-5-carboxylic acid
Also Known As: 10,11-Dihydrodibenzo(b,f)thiepin-10-carboxylic acid, DIBENZO(b,f)THIEPIN-10-CARBOXYLIC ACID, 10,11-DIHYDRO-, 10,11-dihydrodibenzo[b,f]thiepine-10-carboxylic acid, 5,6-dihydrobenzo[b][1]benzothiepine-5-carboxylic acid, BRN 4451641
Technical Specifications
| Molecular Formula | C15H12O2S |
| Molecular Weight | 256.0558 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.0558 Da |
| Heavy Atoms | 18 |
| Complexity | 318.0 |
| SMILES | C1C(C2=CC=CC=C2SC3=CC=CC=C31)C(=O)O |
| InChIKey | LUOMABZEDNHRGY-UHFFFAOYSA-N |
Chemical Property Profile of Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-
Property Insights of Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-
The XLogP value of 3.5 indicates that Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro- 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-. Following Lipinski's Rule of Five, Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro- 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
What is the CAS number of Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-?
The CAS number of Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro- is 87033-44-1.
What is the molecular formula of Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-?
The molecular formula of Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro- is C15H12O2S.
What is the molecular weight of Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-?
The molecular weight of Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro- is 256.0558 g/mol.
Where can I buy Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-?
You can request a quote for Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro-?
Yes, CoreyChem provides custom synthesis services for Dibenzo(b,f)thiepin-10-carboxylic acid, 10,11-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.