Dibenzo(b,f)thiepin-1-carboxylic acid, 10,11-dihydro-8-methoxy-
TL;DR: Dibenzo(b,f)thiepin-1-carboxylic acid, 10,11-dihydro-8-methoxy- (CAS 61307-79-7) 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.
3-methoxy-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylic acid
Also Known As: 2-Methoxy-9-carboxy-10,11-dihydrodibenzo(b,f)thiepin, Dibenzo(b,f)thiepin-1-carboxylic acid, 10,11-dihydro-8-methoxy-, 10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-1-carboxylic acid, 2-methoxy-9-carboxy-10,11-dihydrodibenzo[b,f]thiepin, 9-carboxy-2-methoxy-10,11-dihydrodibenzo[b,f]thiepin
| Molecular Formula | C16H14O3S |
|---|---|
| Molecular Weight | 286.07 g/mol |
| LogP | 3.6432 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.06638 |
| Heavy Atoms | 20 |
| Complexity | 679.41736 |
Chemical Identifiers
| CAS Number | 61307-79-7 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)SC3=CC=CC(=C3CC2)C(=O)O |
Product Overview
Dibenzo(b,f)thiepin-1-carboxylic acid, 10,11-dihydro-8-methoxy- (CAS 61307-79-7), with molecular formula C16H14O3S and molecular weight 286.07 g/mol. IUPAC: 3-methoxy-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylic acid.
Chemical Property Profile of Dibenzo(b,f)thiepin-1-carboxylic acid, 10,11-dihydro-8-methoxy-
Property Insights of Dibenzo(b,f)thiepin-1-carboxylic acid, 10,11-dihydro-8-methoxy-
The XLogP value of 3.6432 indicates that Dibenzo(b,f)thiepin-1-carboxylic acid, 10,11-dihydro-8-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,f)thiepin-1-carboxylic acid, 10,11-dihydro-8-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(b,f)thiepin-1-carboxylic acid, 10,11-dihydro-8-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,f)thiepin-1-carboxylic acid, 10,11-dihydro-8-methoxy-?
The CAS number of Dibenzo(b,f)thiepin-1-carboxylic acid, 10,11-dihydro-8-methoxy- is 61307-79-7.
What is the molecular formula of Dibenzo(b,f)thiepin-1-carboxylic acid, 10,11-dihydro-8-methoxy-?
The molecular formula of Dibenzo(b,f)thiepin-1-carboxylic acid, 10,11-dihydro-8-methoxy- is C16H14O3S.
What is the molecular weight of Dibenzo(b,f)thiepin-1-carboxylic acid, 10,11-dihydro-8-methoxy-?
The molecular weight of Dibenzo(b,f)thiepin-1-carboxylic acid, 10,11-dihydro-8-methoxy- is 286.07 g/mol.
Where can I buy Dibenzo(b,f)thiepin-1-carboxylic acid, 10,11-dihydro-8-methoxy-?
You can request a quote for Dibenzo(b,f)thiepin-1-carboxylic acid, 10,11-dihydro-8-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,f)thiepin-1-carboxylic acid, 10,11-dihydro-8-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,f)thiepin-1-carboxylic acid, 10,11-dihydro-8-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.