RefChem:1079346
TL;DR: RefChem:1079346 (CAS 136541-58-7) is a chemical compound with molecular formula C24H20N4S2 and molecular weight 428.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]benzonitrile
Also Known As: Benzonitrile, 4-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)imino)methyl)-, 3,4,5,6,7,8-Hexahydro-3-(p-cyanobenzylideneamino)-4-phenyl[1]benzothieno[2,3-d]pyrimidine-2-thiol, 3,4,5,6,7,8-Hexahydro-4-phenyl-3-(4-cyanobenzylideneamino)[1]benzothieno[2,3-d]pyrimidine-2(1H)-thione, 4-[({3-phenyl-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-4-yl}imino)methyl]benzonitrile, RefChem:1079346
| Molecular Formula | C24H20N4S2 |
|---|---|
| Molecular Weight | 428.11 g/mol |
| LogP | 5.63448 |
| Topological Polar Surface Area | 51.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.11295 |
| Heavy Atoms | 30 |
| Complexity | 1156.4117 |
Chemical Identifiers
| CAS Number | 136541-58-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3C4=CC=CC=C4)/N=C/C5=CC=C(C=C5)C#N |
Product Overview
RefChem:1079346 (CAS 136541-58-7), with molecular formula C24H20N4S2 and molecular weight 428.11 g/mol. IUPAC: 4-[(E)-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]benzonitrile.
Chemical Property Profile of RefChem:1079346
Property Insights of RefChem:1079346
The XLogP value of 5.63448 indicates that RefChem:1079346 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.42 Ų, RefChem:1079346 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1079346 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1079346?
The CAS number of RefChem:1079346 is 136541-58-7.
What is the molecular formula of RefChem:1079346?
The molecular formula of RefChem:1079346 is C24H20N4S2.
What is the molecular weight of RefChem:1079346?
The molecular weight of RefChem:1079346 is 428.11 g/mol.
Where can I buy RefChem:1079346?
You can request a quote for RefChem:1079346 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079346?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079346 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.