VUFB9,474
TL;DR: VUFB9,474 (CAS 61015-63-2) is a chemical compound with molecular formula C25H29ClN2O6S and molecular weight 520.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propane-1,2-diol
Also Known As: VUFB9,474, C21H25ClN2O2S.C4H4O4.1/2H2O, 1,2-Propanediol, 3-(4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)-, (Z)-2-butenedioate, hydrate (2:2:1), C21-H25-Cl-N2-O2-S.C4-H4-O4.1/2H2-O, (E)-but-2-enedioic acid; 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propane-1,2-diol
| Molecular Formula | C25H29ClN2O6S |
|---|---|
| Molecular Weight | 520.14 g/mol |
| LogP | 2.771 |
| Topological Polar Surface Area | 121.54 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 520.1435 |
| Heavy Atoms | 35 |
| Complexity | 1042.0026 |
Chemical Identifiers
| CAS Number | 61015-63-2 |
|---|---|
| SMILES | C1CN(CCN1CC(CO)O)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
VUFB9,474 (CAS 61015-63-2), with molecular formula C25H29ClN2O6S and molecular weight 520.14 g/mol. IUPAC: (E)-but-2-enedioic acid;3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propane-1,2-diol.
Chemical Property Profile of VUFB9,474
Property Insights of VUFB9,474
The XLogP value of 2.771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VUFB9,474. The TPSA of 121.54 Ų falls within the moderate polarity range, balancing permeability and solubility for VUFB9,474. Following Lipinski's Rule of Five, VUFB9,474 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VUFB9,474?
The CAS number of VUFB9,474 is 61015-63-2.
What is the molecular formula of VUFB9,474?
The molecular formula of VUFB9,474 is C25H29ClN2O6S.
What is the molecular weight of VUFB9,474?
The molecular weight of VUFB9,474 is 520.14 g/mol.
Where can I buy VUFB9,474?
You can request a quote for VUFB9,474 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VUFB9,474?
Yes, KEHONG BIO provides custom synthesis services for VUFB9,474 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.