RefChem:1056554
TL;DR: RefChem:1056554 (CAS 65999-40-8) is a chemical compound with molecular formula C24H27ClN2O6S and molecular weight 506.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;(5S,6R)-3-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-5-ol
Also Known As: VUFB10.702, cis-8-Chloro-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-ol maleate, 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-11-hydroxydibenzo(b,f)thiepin-10-yl)-, cis-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; (5S,6R)-3-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-5-ol
| Molecular Formula | C24H27ClN2O6S |
|---|---|
| Molecular Weight | 506.13 g/mol |
| LogP | 2.901 |
| Topological Polar Surface Area | 121.54 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 506.12784 |
| Heavy Atoms | 34 |
| Complexity | 1025.8733 |
Chemical Identifiers
| CAS Number | 65999-40-8 |
|---|---|
| SMILES | C1CN(CCN1CCO)[C@H]2[C@H](C3=C(C=CC(=C3)Cl)SC4=CC=CC=C24)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056554 (CAS 65999-40-8), with molecular formula C24H27ClN2O6S and molecular weight 506.13 g/mol. IUPAC: (E)-but-2-enedioic acid;(5S,6R)-3-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-5-ol.
Chemical Property Profile of RefChem:1056554
Property Insights of RefChem:1056554
The XLogP value of 2.901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056554. The TPSA of 121.54 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056554. Following Lipinski's Rule of Five, RefChem:1056554 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 RefChem:1056554?
The CAS number of RefChem:1056554 is 65999-40-8.
What is the molecular formula of RefChem:1056554?
The molecular formula of RefChem:1056554 is C24H27ClN2O6S.
What is the molecular weight of RefChem:1056554?
The molecular weight of RefChem:1056554 is 506.13 g/mol.
Where can I buy RefChem:1056554?
You can request a quote for RefChem:1056554 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056554?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056554 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.