A3962/0168835
TL;DR: A3962/0168835 (CAS 496771-80-3) is a chemical compound with molecular formula C31H29N3OS and molecular weight 491.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methoxyphenyl)-2-(4-methylphenyl)-N-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: A3962/0168835, 1-(4-methoxyphenyl)-4-(4-methylphenyl)-N-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide, 1-(4-METHOXYPHENYL)-4-(4-METHYLPHENYL)-N~2~-PHENYL-5,6,7,8-TETRAHYDRO-2A,4A-DIAZACYCLOPENTA[CD]AZULENE-2-CARBOTHIOAMIDE, 1-(4-methoxyphenyl)-N-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
| Molecular Formula | C31H29N3OS |
|---|---|
| Molecular Weight | 491.20 g/mol |
| LogP | 7.51572 |
| Topological Polar Surface Area | 30.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.20312 |
| Heavy Atoms | 36 |
| Complexity | 1544.234 |
Chemical Identifiers
| CAS Number | 496771-80-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)OC)C(=S)NC6=CC=CC=C6 |
Product Overview
A3962/0168835 (CAS 496771-80-3), with molecular formula C31H29N3OS and molecular weight 491.20 g/mol. IUPAC: 6-(4-methoxyphenyl)-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 A3962/0168835
Property Insights of A3962/0168835
The XLogP value of 7.51572 indicates that A3962/0168835 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.6 Ų, A3962/0168835 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3962/0168835 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3962/0168835?
The CAS number of A3962/0168835 is 496771-80-3.
What is the molecular formula of A3962/0168835?
The molecular formula of A3962/0168835 is C31H29N3OS.
What is the molecular weight of A3962/0168835?
The molecular weight of A3962/0168835 is 491.20 g/mol.
Where can I buy A3962/0168835?
You can request a quote for A3962/0168835 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3962/0168835?
Yes, KEHONG BIO provides custom synthesis services for A3962/0168835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.