VUFB14.010
TL;DR: VUFB14.010 (CAS 74277-30-8) is a chemical compound with molecular formula C20H25Cl3N2O2S and molecular weight 462.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-9-ol;dihydrochloride
Also Known As: VUFB14.010, 1-Piperazineethanol, 4-(8-chloro-10,11-dihydro-3-hydroxydibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1), 3-chloro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-9-ol dihydrochloride, 8-Chloro-10-[4-(2-hydroxyethyl)piperazin-1-yl]-10,11-dihydrodibenzo[b,f]thiepin-3-ol--hydrogen chloride (1/2)
| Molecular Formula | C20H25Cl3N2O2S |
|---|---|
| Molecular Weight | 462.07 g/mol |
| LogP | 4.2475 |
| Topological Polar Surface Area | 46.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.07022 |
| Heavy Atoms | 28 |
| Complexity | 801.01544 |
Chemical Identifiers
| CAS Number | 74277-30-8 |
|---|---|
| SMILES | C1CN(CCN1CCO)C2CC3=C(C=C(C=C3)O)SC4=C2C=C(C=C4)Cl.Cl.Cl |
Product Overview
VUFB14.010 (CAS 74277-30-8), with molecular formula C20H25Cl3N2O2S and molecular weight 462.07 g/mol. IUPAC: 3-chloro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-9-ol;dihydrochloride.
Chemical Property Profile of VUFB14.010
Property Insights of VUFB14.010
The XLogP value of 4.2475 indicates that VUFB14.010 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.94 Ų, VUFB14.010 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VUFB14.010 has 2 hydrogen bond donor(s) and 5 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 VUFB14.010?
The CAS number of VUFB14.010 is 74277-30-8.
What is the molecular formula of VUFB14.010?
The molecular formula of VUFB14.010 is C20H25Cl3N2O2S.
What is the molecular weight of VUFB14.010?
The molecular weight of VUFB14.010 is 462.07 g/mol.
Where can I buy VUFB14.010?
You can request a quote for VUFB14.010 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VUFB14.010?
Yes, KEHONG BIO provides custom synthesis services for VUFB14.010 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.