A4002/0170570
TL;DR: A4002/0170570 (CAS 488826-57-9) is a chemical compound with molecular formula C30H26ClN3S and molecular weight 495.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-2-(4-methylphenyl)-N-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: A4002/0170570, 1-(4-chlorophenyl)-4-(4-methylphenyl)-N-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide, 1-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-N~2~-PHENYL-5,6,7,8-TETRAHYDRO-2A,4A-DIAZACYCLOPENTA[CD]AZULENE-2-CARBOTHIOAMIDE, 1-(4-chlorophenyl)-N-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
| Molecular Formula | C30H26ClN3S |
|---|---|
| Molecular Weight | 495.15 g/mol |
| LogP | 8.16052 |
| Topological Polar Surface Area | 21.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 495.1536 |
| Heavy Atoms | 35 |
| Complexity | 1527.3369 |
Chemical Identifiers
| CAS Number | 488826-57-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)Cl)C(=S)NC6=CC=CC=C6 |
Product Overview
A4002/0170570 (CAS 488826-57-9), with molecular formula C30H26ClN3S and molecular weight 495.15 g/mol. IUPAC: 6-(4-chlorophenyl)-2-(4-methylphenyl)-N-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Chemical Property Profile of A4002/0170570
Property Insights of A4002/0170570
The XLogP value of 8.16052 indicates that A4002/0170570 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.37 Ų, A4002/0170570 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4002/0170570 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4002/0170570?
The CAS number of A4002/0170570 is 488826-57-9.
What is the molecular formula of A4002/0170570?
The molecular formula of A4002/0170570 is C30H26ClN3S.
What is the molecular weight of A4002/0170570?
The molecular weight of A4002/0170570 is 495.15 g/mol.
Where can I buy A4002/0170570?
You can request a quote for A4002/0170570 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4002/0170570?
Yes, KEHONG BIO provides custom synthesis services for A4002/0170570 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.