Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-
TL;DR: Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro- (CAS 43040-59-1) is a chemical compound with molecular formula C16H14O2S and molecular weight 270.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)acetic acid
Also Known As: Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-, 6H,11H-Dibenzo(b,e)thiepin-2-ylacetic acid, 6,11-Dihydrodibenzo(b,e)thiepin-2-acetic acid, (6,11-Dihydrodibenzo[b,e]thiepin-2-yl)acetic acid, 2-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)acetic acid
| Molecular Formula | C16H14O2S |
|---|---|
| Molecular Weight | 270.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.07144 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 43040-59-1 |
|---|---|
| SMILES | C1C2=CC=CC=C2CSC3=C1C=C(C=C3)CC(=O)O |
| InChIKey | WWJYEIOKRYMFRS-UHFFFAOYSA-N |
Product Overview
Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro- (CAS 43040-59-1), with molecular formula C16H14O2S and molecular weight 270.07 g/mol. IUPAC: 2-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)acetic acid.
Chemical Property Profile of Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-
Property Insights of Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-
The XLogP value of 3.4 indicates that Dibenzo(b,e)thiepin-2-acetic acid, 6,11-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,e)thiepin-2-acetic acid, 6,11-dihydro-. Following Lipinski's Rule of Five, Dibenzo(b,e)thiepin-2-acetic acid, 6,11-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
Frequently Asked Questions
What is the CAS number of Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-?
The CAS number of Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro- is 43040-59-1.
What is the molecular formula of Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-?
The molecular formula of Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro- is C16H14O2S.
What is the molecular weight of Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-?
The molecular weight of Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro- is 270.07 g/mol.
Where can I buy Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-?
You can request a quote for Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro- 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-?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.