A3962/0168840
TL;DR: A3962/0168840 (CAS 488727-28-2) is a chemical compound with molecular formula C30H26ClN3OS and molecular weight 511.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: A3962/0168840, 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide, 4-(4-CHLOROPHENYL)-N~2~-(4-METHOXYPHENYL)-1-PHENYL-5,6,7,8-TETRAHYDRO-2A,4A-DIAZACYCLOPENTA[CD]AZULENE-2-CARBOTHIOAMIDE
| Molecular Formula | C30H26ClN3OS |
|---|---|
| Molecular Weight | 511.15 g/mol |
| LogP | 7.8607 |
| Topological Polar Surface Area | 30.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 511.1485 |
| Heavy Atoms | 36 |
| Complexity | 1550.6074 |
Chemical Identifiers
| CAS Number | 488727-28-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=C(C=C5)Cl)C6=CC=CC=C6 |
Product Overview
A3962/0168840 (CAS 488727-28-2), with molecular formula C30H26ClN3OS and molecular weight 511.15 g/mol. IUPAC: 2-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Chemical Property Profile of A3962/0168840
Property Insights of A3962/0168840
The XLogP value of 7.8607 indicates that A3962/0168840 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.6 Ų, A3962/0168840 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3962/0168840 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 A3962/0168840?
The CAS number of A3962/0168840 is 488727-28-2.
What is the molecular formula of A3962/0168840?
The molecular formula of A3962/0168840 is C30H26ClN3OS.
What is the molecular weight of A3962/0168840?
The molecular weight of A3962/0168840 is 511.15 g/mol.
Where can I buy A3962/0168840?
You can request a quote for A3962/0168840 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3962/0168840?
Yes, KEHONG BIO provides custom synthesis services for A3962/0168840 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.