A4002/0170580
TL;DR: A4002/0170580 (CAS 496773-12-7) is a chemical compound with molecular formula C30H27N3S and molecular weight 461.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)-2,6-diphenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: A4002/0170580, 1,4-diphenyl-N-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide, N-(4-methylphenyl)-1,4-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide, N~2~-(4-METHYLPHENYL)-1,4-DIPHENYL-5,6,7,8-TETRAHYDRO-2A,4A-DIAZACYCLOPENTA[CD]AZULENE-2-CARBOTHIOAMIDE
| Molecular Formula | C30H27N3S |
|---|---|
| Molecular Weight | 461.19 g/mol |
| LogP | 7.50712 |
| Topological Polar Surface Area | 21.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.19257 |
| Heavy Atoms | 34 |
| Complexity | 1475.6533 |
Chemical Identifiers
| CAS Number | 496773-12-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
A4002/0170580 (CAS 496773-12-7), with molecular formula C30H27N3S and molecular weight 461.19 g/mol. IUPAC: N-(4-methylphenyl)-2,6-diphenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Chemical Property Profile of A4002/0170580
Property Insights of A4002/0170580
The XLogP value of 7.50712 indicates that A4002/0170580 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.37 Ų, A4002/0170580 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4002/0170580 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 A4002/0170580?
The CAS number of A4002/0170580 is 496773-12-7.
What is the molecular formula of A4002/0170580?
The molecular formula of A4002/0170580 is C30H27N3S.
What is the molecular weight of A4002/0170580?
The molecular weight of A4002/0170580 is 461.19 g/mol.
Where can I buy A4002/0170580?
You can request a quote for A4002/0170580 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4002/0170580?
Yes, KEHONG BIO provides custom synthesis services for A4002/0170580 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.