Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-, 5-oxide
TL;DR: Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-, 5-oxide (CAS 43040-63-7) is a chemical compound with molecular formula C16H14O3S and molecular weight 286.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-oxo-6,11-dihydrobenzo[c][1]benzothiepin-2-yl)acetic acid
Also Known As: 6,11-Dihydrodibenzo(b,e)thiepin-2-acetic acid 5-oxide, 6H,11H-Dibenzo(b,e)thiepin-2-ylacetic acid 5-oxide, Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-, 5-oxide, 2-(5-oxo-6,11-dihydrobenzo[c][1]benzothiepin-2-yl)acetic acid, (5-Oxo-6,11-dihydro-5H-5lambda~4~-dibenzo[b,e]thiepin-2-yl)acetic acid
| Molecular Formula | C16H14O3S |
|---|---|
| Molecular Weight | 286.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.06638 |
| Heavy Atoms | 20 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 43040-63-7 |
|---|---|
| SMILES | C1C2=CC=CC=C2CS(=O)C3=C1C=C(C=C3)CC(=O)O |
| InChIKey | XWYRSTXXNZMJDU-UHFFFAOYSA-N |
Product Overview
Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-, 5-oxide (CAS 43040-63-7), with molecular formula C16H14O3S and molecular weight 286.07 g/mol. IUPAC: 2-(5-oxo-6,11-dihydrobenzo[c][1]benzothiepin-2-yl)acetic acid.
Chemical Property Profile of Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-, 5-oxide
Property Insights of Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-, 5-oxide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-, 5-oxide. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-, 5-oxide. Following Lipinski's Rule of Five, Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-, 5-oxide has 1 hydrogen bond donor(s) and 4 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,e)thiepin-2-acetic acid, 6,11-dihydro-, 5-oxide?
The CAS number of Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-, 5-oxide is 43040-63-7.
What is the molecular formula of Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-, 5-oxide?
The molecular formula of Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-, 5-oxide is C16H14O3S.
What is the molecular weight of Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-, 5-oxide?
The molecular weight of Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-, 5-oxide is 286.07 g/mol.
Where can I buy Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-, 5-oxide?
You can request a quote for Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-, 5-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-, 5-oxide?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-, 5-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.