Dibenzo(b,e)thiepin-11-acetic acid, 6,11-dihydro-4-methoxy-
TL;DR: Dibenzo(b,e)thiepin-11-acetic acid, 6,11-dihydro-4-methoxy- (CAS 82407-43-0) is a chemical compound with molecular formula C17H16O3S and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)acetic acid
Also Known As: 4-Methoxy-6,11-dihydrodibenzo(b,e)thiepin-11-acetic acid, 6,11-Dihydro-4-methoxydibenzo(b,e)thiepin-11-acetic acid, Dibenzo(b,e)thiepin-11-acetic acid, 6,11-dihydro-4-methoxy-, 2-(4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)acetic acid, (4-Methoxy-6,11-dihydrodibenzo[b,e]thiepin-11-yl)acetic acid
| Molecular Formula | C17H16O3S |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 3.9075 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.082 |
| Heavy Atoms | 21 |
| Complexity | 681.4855 |
Chemical Identifiers
| CAS Number | 82407-43-0 |
|---|---|
| SMILES | COC1=CC=CC2=C1SCC3=CC=CC=C3C2CC(=O)O |
Product Overview
Dibenzo(b,e)thiepin-11-acetic acid, 6,11-dihydro-4-methoxy- (CAS 82407-43-0), with molecular formula C17H16O3S and molecular weight 300.08 g/mol. IUPAC: 2-(4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)acetic acid.
Chemical Property Profile of Dibenzo(b,e)thiepin-11-acetic acid, 6,11-dihydro-4-methoxy-
Property Insights of Dibenzo(b,e)thiepin-11-acetic acid, 6,11-dihydro-4-methoxy-
The XLogP value of 3.9075 indicates that Dibenzo(b,e)thiepin-11-acetic acid, 6,11-dihydro-4-methoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Dibenzo(b,e)thiepin-11-acetic acid, 6,11-dihydro-4-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(b,e)thiepin-11-acetic acid, 6,11-dihydro-4-methoxy- 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-11-acetic acid, 6,11-dihydro-4-methoxy-?
The CAS number of Dibenzo(b,e)thiepin-11-acetic acid, 6,11-dihydro-4-methoxy- is 82407-43-0.
What is the molecular formula of Dibenzo(b,e)thiepin-11-acetic acid, 6,11-dihydro-4-methoxy-?
The molecular formula of Dibenzo(b,e)thiepin-11-acetic acid, 6,11-dihydro-4-methoxy- is C17H16O3S.
What is the molecular weight of Dibenzo(b,e)thiepin-11-acetic acid, 6,11-dihydro-4-methoxy-?
The molecular weight of Dibenzo(b,e)thiepin-11-acetic acid, 6,11-dihydro-4-methoxy- is 300.08 g/mol.
Where can I buy Dibenzo(b,e)thiepin-11-acetic acid, 6,11-dihydro-4-methoxy-?
You can request a quote for Dibenzo(b,e)thiepin-11-acetic acid, 6,11-dihydro-4-methoxy- 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-11-acetic acid, 6,11-dihydro-4-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,e)thiepin-11-acetic acid, 6,11-dihydro-4-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.