VUFB-12,335
TL;DR: VUFB-12,335 (CAS 77603-02-2) is a chemical compound with molecular formula C28H30Cl3FN2OS and molecular weight 566.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one;dihydrochloride
Also Known As: VUFB-12,335, 1-Butanone, 4-(4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)-1-(4-fluorophenyl)-, dihydrochloride, hydrate, 4-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one dihydrochloride, 4-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one,dihydrochloride, 4-[4-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/2)
| Molecular Formula | C28H30Cl3FN2OS |
|---|---|
| Molecular Weight | 566.11 g/mol |
| LogP | 7.3518 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 566.11285 |
| Heavy Atoms | 36 |
| Complexity | 1169.7113 |
Chemical Identifiers
| CAS Number | 77603-02-2 |
|---|---|
| SMILES | C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.Cl.Cl |
Product Overview
VUFB-12,335 (CAS 77603-02-2), with molecular formula C28H30Cl3FN2OS and molecular weight 566.11 g/mol. IUPAC: 4-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one;dihydrochloride.
Chemical Property Profile of VUFB-12,335
Property Insights of VUFB-12,335
The XLogP value of 7.3518 indicates that VUFB-12,335 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, VUFB-12,335 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VUFB-12,335 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VUFB-12,335?
The CAS number of VUFB-12,335 is 77603-02-2.
What is the molecular formula of VUFB-12,335?
The molecular formula of VUFB-12,335 is C28H30Cl3FN2OS.
What is the molecular weight of VUFB-12,335?
The molecular weight of VUFB-12,335 is 566.11 g/mol.
Where can I buy VUFB-12,335?
You can request a quote for VUFB-12,335 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VUFB-12,335?
Yes, KEHONG BIO provides custom synthesis services for VUFB-12,335 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.