VUFB12.397
TL;DR: VUFB12.397 (CAS 73225-70-4) is a chemical compound with molecular formula C24H29ClN2O6S and molecular weight 508.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butanedioic acid;2-[4-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
Also Known As: VUFB12.397, 1-Piperazineethanol, 4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, S-oxide, butanedioate, hydrate (1:1:1), Butanedioic acid--2-chloro-10-[4-(2-hydroxyethyl)piperazin-1-yl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f]thiepin-5-one (1/1), butanedioic acid; 2-[4-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
| Molecular Formula | C24H29ClN2O6S |
|---|---|
| Molecular Weight | 508.14 g/mol |
| LogP | 2.6496 |
| Topological Polar Surface Area | 118.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 508.1435 |
| Heavy Atoms | 34 |
| Complexity | 1027.8733 |
Chemical Identifiers
| CAS Number | 73225-70-4 |
|---|---|
| SMILES | C1CN(CCN1CCO)C2CC3=C(C=CC(=C3)Cl)S(=O)C4=CC=CC=C24.C(CC(=O)O)C(=O)O |
Product Overview
VUFB12.397 (CAS 73225-70-4), with molecular formula C24H29ClN2O6S and molecular weight 508.14 g/mol. IUPAC: butanedioic acid;2-[4-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol.
Chemical Property Profile of VUFB12.397
Property Insights of VUFB12.397
The XLogP value of 2.6496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VUFB12.397. The TPSA of 118.38 Ų falls within the moderate polarity range, balancing permeability and solubility for VUFB12.397. Following Lipinski's Rule of Five, VUFB12.397 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VUFB12.397?
The CAS number of VUFB12.397 is 73225-70-4.
What is the molecular formula of VUFB12.397?
The molecular formula of VUFB12.397 is C24H29ClN2O6S.
What is the molecular weight of VUFB12.397?
The molecular weight of VUFB12.397 is 508.14 g/mol.
Where can I buy VUFB12.397?
You can request a quote for VUFB12.397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VUFB12.397?
Yes, KEHONG BIO provides custom synthesis services for VUFB12.397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.