RefChem:1095714
TL;DR: RefChem:1095714 (CAS 73129-61-0) is a chemical compound with molecular formula C24H28N2O4S and molecular weight 440.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-methyl-4-(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine
Also Known As: VUFB13.752, C20H24N2S.C4H4O4.1/2H2O, C20-H24-N2-S.C4-H4-O4.1/2H2-O, 2-Methyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate hemihydrate, Piperazine, 1-(10,11-dihydro-2-methyldibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate,hydrate (2:2:1)
| Molecular Formula | C24H28N2O4S |
|---|---|
| Molecular Weight | 440.18 g/mol |
| LogP | 3.70262 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.17697 |
| Heavy Atoms | 31 |
| Complexity | 951.8017 |
Chemical Identifiers
| CAS Number | 73129-61-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC3=CC=CC=C3C(C2)N4CCN(CC4)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095714 (CAS 73129-61-0), with molecular formula C24H28N2O4S and molecular weight 440.18 g/mol. IUPAC: (E)-but-2-enedioic acid;1-methyl-4-(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine.
Chemical Property Profile of RefChem:1095714
Property Insights of RefChem:1095714
The XLogP value of 3.70262 indicates that RefChem:1095714 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095714. Following Lipinski's Rule of Five, RefChem:1095714 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 RefChem:1095714?
The CAS number of RefChem:1095714 is 73129-61-0.
What is the molecular formula of RefChem:1095714?
The molecular formula of RefChem:1095714 is C24H28N2O4S.
What is the molecular weight of RefChem:1095714?
The molecular weight of RefChem:1095714 is 440.18 g/mol.
Where can I buy RefChem:1095714?
You can request a quote for RefChem:1095714 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095714?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095714 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.