RefChem:1057733
TL;DR: RefChem:1057733 (CAS 4809-81-8) 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.
(Z)-but-2-enedioic acid;1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-1,4-diazepane
Also Known As: 10-(4-Methylhexahydro-1,4-diazepino)-10,11-dihydrodibenzo(b,f)thiepin maleate, Hexahydro-1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-1H-1,4-diazepine maleate, 1H-1,4-Diazepine, hexahydro-1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, maleate (1:1), (Z)-but-2-enedioic acid; 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-1,4-diazepane, RefChem:1057733
| Molecular Formula | C24H28N2O4S |
|---|---|
| Molecular Weight | 440.18 g/mol |
| LogP | 3.7843 |
| 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 | 930.68146 |
Chemical Identifiers
| CAS Number | 4809-81-8 |
|---|---|
| SMILES | CN1CCCN(CC1)C2CC3=CC=CC=C3SC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1057733 (CAS 4809-81-8), with molecular formula C24H28N2O4S and molecular weight 440.18 g/mol. IUPAC: (Z)-but-2-enedioic acid;1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-1,4-diazepane.
Chemical Property Profile of RefChem:1057733
Property Insights of RefChem:1057733
The XLogP value of 3.7843 indicates that RefChem:1057733 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:1057733. Following Lipinski's Rule of Five, RefChem:1057733 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:1057733?
The CAS number of RefChem:1057733 is 4809-81-8.
What is the molecular formula of RefChem:1057733?
The molecular formula of RefChem:1057733 is C24H28N2O4S.
What is the molecular weight of RefChem:1057733?
The molecular weight of RefChem:1057733 is 440.18 g/mol.
Where can I buy RefChem:1057733?
You can request a quote for RefChem:1057733 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057733?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057733 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.