RefChem:1095921
TL;DR: RefChem:1095921 (CAS 63186-69-6) is a chemical compound with molecular formula C32H41ClN2O5S and molecular weight 600.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]decan-1-one
Also Known As: VUFB-10,110, Piperazine, 1-(8-chloro-10,11-dihydrobenzo(b,f)thiepin-10-yl)-4-(1-oxodecyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]decan-1-one, RefChem:1095921
| Molecular Formula | C32H41ClN2O5S |
|---|---|
| Molecular Weight | 600.24 g/mol |
| LogP | 7.0851 |
| Topological Polar Surface Area | 98.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 600.2425 |
| Heavy Atoms | 41 |
| Complexity | 1180.3608 |
Chemical Identifiers
| CAS Number | 63186-69-6 |
|---|---|
| SMILES | CCCCCCCCCC(=O)N1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095921 (CAS 63186-69-6), with molecular formula C32H41ClN2O5S and molecular weight 600.24 g/mol. IUPAC: (E)-but-2-enedioic acid;1-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]decan-1-one.
Chemical Property Profile of RefChem:1095921
Property Insights of RefChem:1095921
The XLogP value of 7.0851 indicates that RefChem:1095921 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.15 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095921. Following Lipinski's Rule of Five, RefChem:1095921 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095921?
The CAS number of RefChem:1095921 is 63186-69-6.
What is the molecular formula of RefChem:1095921?
The molecular formula of RefChem:1095921 is C32H41ClN2O5S.
What is the molecular weight of RefChem:1095921?
The molecular weight of RefChem:1095921 is 600.24 g/mol.
Where can I buy RefChem:1095921?
You can request a quote for RefChem:1095921 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095921?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095921 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.