RefChem:1083340
TL;DR: RefChem:1083340 (CAS 87033-79-2) is a chemical compound with molecular formula C24H26N2O4S and molecular weight 438.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-cyano-6H-benzo[b][1]benzothiepin-5-yl)propyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: Dibenzo(b,f)thiepin-10-carbonitrile, 10,11-dihydro-10-(3-(dimethylamino)propyl)-, (Z)-2-butenedioate (1:1), 10-(3-Dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-10-carbonitrile hydrogen maleate, DIBENZO(b,f)THIEPIN-10-CARBONITRILE, 10,11-DIHYDRO-10-(3-(DIMETHYLAMINO)PROPYL)-, 3-(5-cyano-6H-benzo[b][1]benzothiepin-5-yl)propyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1083340
| Molecular Formula | C24H26N2O4S |
|---|---|
| Molecular Weight | 438.16 g/mol |
| LogP | 1.45708 |
| Topological Polar Surface Area | 105.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.16132 |
| Heavy Atoms | 31 |
| Complexity | 981.069 |
Chemical Identifiers
| CAS Number | 87033-79-2 |
|---|---|
| SMILES | C[NH+](C)CCCC1(CC2=CC=CC=C2SC3=CC=CC=C31)C#N.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1083340 (CAS 87033-79-2), with molecular formula C24H26N2O4S and molecular weight 438.16 g/mol. IUPAC: 3-(5-cyano-6H-benzo[b][1]benzothiepin-5-yl)propyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1083340
Property Insights of RefChem:1083340
The XLogP value of 1.45708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1083340. The TPSA of 105.66 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1083340. Following Lipinski's Rule of Five, RefChem:1083340 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:1083340?
The CAS number of RefChem:1083340 is 87033-79-2.
What is the molecular formula of RefChem:1083340?
The molecular formula of RefChem:1083340 is C24H26N2O4S.
What is the molecular weight of RefChem:1083340?
The molecular weight of RefChem:1083340 is 438.16 g/mol.
Where can I buy RefChem:1083340?
You can request a quote for RefChem:1083340 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083340?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083340 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.