VUFB 17,789
TL;DR: VUFB 17,789 (CAS 138970-91-9) is a chemical compound with molecular formula C21H22ClNO2S and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(1-methylpiperidin-4-ylidene)-6H-benzo[c][1]benzothiepine-9-carboxylic acid;hydrochloride
Also Known As: VUFB 17,789, Dibenzo(b,e)thiepin-9-carboxylic acid, 6,11-dihydro-11-(1-methyl-4-piperidinylidene)-, hydrochloride, 11-(1-Methyl-4-piperidylidene)-6,11-dihydrodibenzo(b,e)thiepine-9-carboxylic acid HCl, 11- -6,11-dihydrodibenzo thiepine-9-carboxylicacidHCl, Dibenzo[b,e]thiepin-9-carboxylicacid, 6,11-dihydro-11-(1-methyl-4-piperidinylidene)-, hydrochloride (1:1)
| Molecular Formula | C21H22ClNO2S |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 4.9398 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 387.106 |
| Heavy Atoms | 26 |
| Complexity | 868.0648 |
Chemical Identifiers
| CAS Number | 138970-91-9 |
|---|---|
| SMILES | CN1CCC(=C2C3=CC=CC=C3SCC4=C2C=C(C=C4)C(=O)O)CC1.Cl |
Product Overview
VUFB 17,789 (CAS 138970-91-9), with molecular formula C21H22ClNO2S and molecular weight 387.11 g/mol. IUPAC: 11-(1-methylpiperidin-4-ylidene)-6H-benzo[c][1]benzothiepine-9-carboxylic acid;hydrochloride.
Chemical Property Profile of VUFB 17,789
Property Insights of VUFB 17,789
The XLogP value of 4.9398 indicates that VUFB 17,789 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, VUFB 17,789 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VUFB 17,789 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 VUFB 17,789?
The CAS number of VUFB 17,789 is 138970-91-9.
What is the molecular formula of VUFB 17,789?
The molecular formula of VUFB 17,789 is C21H22ClNO2S.
What is the molecular weight of VUFB 17,789?
The molecular weight of VUFB 17,789 is 387.11 g/mol.
Where can I buy VUFB 17,789?
You can request a quote for VUFB 17,789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VUFB 17,789?
Yes, KEHONG BIO provides custom synthesis services for VUFB 17,789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.