A3963/0168890
TL;DR: A3963/0168890 (CAS 488732-35-0) is a chemical compound with molecular formula C33H33N3OS and molecular weight 519.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethylphenyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: A3963/0168890, N-(4-ethylphenyl)-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide, N-(4-ethylphenyl)-4-(4-methoxyphenyl)-1-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide, N~2~-(4-ETHYLPHENYL)-4-(4-METHOXYPHENYL)-1-(4-METHYLPHENYL)-5,6,7,8-TETRAHYDRO-2A,4A-DIAZACYCLOPENTA[CD]AZULENE-2-CARBOTHIOAMIDE
| Molecular Formula | C33H33N3OS |
|---|---|
| Molecular Weight | 519.23 g/mol |
| LogP | 8.07812 |
| Topological Polar Surface Area | 30.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 519.23444 |
| Heavy Atoms | 38 |
| Complexity | 1606.8496 |
Chemical Identifiers
| CAS Number | 488732-35-0 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)C |
Product Overview
A3963/0168890 (CAS 488732-35-0), with molecular formula C33H33N3OS and molecular weight 519.23 g/mol. IUPAC: N-(4-ethylphenyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Chemical Property Profile of A3963/0168890
Property Insights of A3963/0168890
The XLogP value of 8.07812 indicates that A3963/0168890 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.6 Ų, A3963/0168890 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3963/0168890 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 A3963/0168890?
The CAS number of A3963/0168890 is 488732-35-0.
What is the molecular formula of A3963/0168890?
The molecular formula of A3963/0168890 is C33H33N3OS.
What is the molecular weight of A3963/0168890?
The molecular weight of A3963/0168890 is 519.23 g/mol.
Where can I buy A3963/0168890?
You can request a quote for A3963/0168890 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3963/0168890?
Yes, KEHONG BIO provides custom synthesis services for A3963/0168890 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.