VUFB 17,749
TL;DR: VUFB 17,749 (CAS 138970-99-7) is a chemical compound with molecular formula C20H22ClNO2S and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11E)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzothiepine-2-carboxylic acid;hydrochloride
Also Known As: VUFB 17,749, 11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepine-2-carboxylic acid HCl, Dibenzo(b,e)thiepin-2-carboxylic acid, 6,11-dihydro-11-(3-(dimethylamino)propylidene)-, hydrochloride, (11E)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzothiepine-2-carboxylic acid hydrochloride, RefChem:1083314
| Molecular Formula | C20H22ClNO2S |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | 4.7957 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.106 |
| Heavy Atoms | 25 |
| Complexity | 802.0332 |
Chemical Identifiers
| CAS Number | 138970-99-7 |
|---|---|
| SMILES | CN(C)CC/C=C/1\C2=CC=CC=C2CSC3=C1C=C(C=C3)C(=O)O.Cl |
Product Overview
VUFB 17,749 (CAS 138970-99-7), with molecular formula C20H22ClNO2S and molecular weight 375.11 g/mol. IUPAC: (11E)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzothiepine-2-carboxylic acid;hydrochloride.
Chemical Property Profile of VUFB 17,749
Property Insights of VUFB 17,749
The XLogP value of 4.7957 indicates that VUFB 17,749 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 17,749 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VUFB 17,749 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 17,749?
The CAS number of VUFB 17,749 is 138970-99-7.
What is the molecular formula of VUFB 17,749?
The molecular formula of VUFB 17,749 is C20H22ClNO2S.
What is the molecular weight of VUFB 17,749?
The molecular weight of VUFB 17,749 is 375.11 g/mol.
Where can I buy VUFB 17,749?
You can request a quote for VUFB 17,749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VUFB 17,749?
Yes, KEHONG BIO provides custom synthesis services for VUFB 17,749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.