C31H29N3OS
TL;DR: C31H29N3OS (CAS 498571-33-8) 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.
N-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: N-(4-methoxyphenyl)-1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide, N-(4-methoxyphenyl)-4-(4-methylphenyl)-1-phenyl-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 | 498571-33-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=CC=C5)C(=S)NC6=CC=C(C=C6)OC |
Product Overview
C31H29N3OS (CAS 498571-33-8), with molecular formula C31H29N3OS and molecular weight 491.20 g/mol. IUPAC: N-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Chemical Property Profile of C31H29N3OS
Property Insights of C31H29N3OS
The XLogP value of 7.51572 indicates that C31H29N3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.6 Ų, C31H29N3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C31H29N3OS 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 C31H29N3OS?
The CAS number of C31H29N3OS is 498571-33-8.
What is the molecular formula of C31H29N3OS?
The molecular formula of C31H29N3OS is C31H29N3OS.
What is the molecular weight of C31H29N3OS?
The molecular weight of C31H29N3OS is 491.20 g/mol.
Where can I buy C31H29N3OS?
You can request a quote for C31H29N3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H29N3OS?
Yes, KEHONG BIO provides custom synthesis services for C31H29N3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.