C18H18ClN5S2
TL;DR: C18H18ClN5S2 (CAS 316359-95-2) is a chemical compound with molecular formula C18H18ClN5S2 and molecular weight 403.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(4-chlorophenyl)methylideneamino]-11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
Also Known As: AJ-292/11387650, (E)-4-(2-(4-chlorobenzylidene)hydrazinyl)-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine, 4-[(2E)-2-(4-chlorobenzylidene)hydrazinyl]-7-methyl-2-(methylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine, N-[(E)-(4-chlorophenyl)methylideneamino]-7-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[4,5]thieno[1,2-c]pyrimidin-4-amine
| Molecular Formula | C18H18ClN5S2 |
|---|---|
| Molecular Weight | 403.07 g/mol |
| LogP | 4.5005 |
| Topological Polar Surface Area | 53.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.0692 |
| Heavy Atoms | 26 |
| Complexity | 967.86707 |
Chemical Identifiers
| CAS Number | 316359-95-2 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=NC(=NC(=C23)N/N=C/C4=CC=C(C=C4)Cl)SC |
Product Overview
C18H18ClN5S2 (CAS 316359-95-2), with molecular formula C18H18ClN5S2 and molecular weight 403.07 g/mol. IUPAC: N-[(E)-(4-chlorophenyl)methylideneamino]-11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine.
Chemical Property Profile of C18H18ClN5S2
Property Insights of C18H18ClN5S2
The XLogP value of 4.5005 indicates that C18H18ClN5S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.41 Ų, C18H18ClN5S2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H18ClN5S2 has 1 hydrogen bond donor(s) and 7 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 C18H18ClN5S2?
The CAS number of C18H18ClN5S2 is 316359-95-2.
What is the molecular formula of C18H18ClN5S2?
The molecular formula of C18H18ClN5S2 is C18H18ClN5S2.
What is the molecular weight of C18H18ClN5S2?
The molecular weight of C18H18ClN5S2 is 403.07 g/mol.
Where can I buy C18H18ClN5S2?
You can request a quote for C18H18ClN5S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H18ClN5S2?
Yes, KEHONG BIO provides custom synthesis services for C18H18ClN5S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.