C32H30ClN3OS
TL;DR: C32H30ClN3OS (CAS 488100-54-5) is a chemical compound with molecular formula C32H30ClN3OS and molecular weight 539.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-N-(4-ethylphenyl)-6-(4-methoxyphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: 4-(4-chlorophenyl)-N-(4-ethylphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
| Molecular Formula | C32H30ClN3OS |
|---|---|
| Molecular Weight | 539.18 g/mol |
| LogP | 8.4231 |
| Topological Polar Surface Area | 30.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 539.1798 |
| Heavy Atoms | 38 |
| Complexity | 1613.3146 |
Chemical Identifiers
| CAS Number | 488100-54-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)OC |
Product Overview
C32H30ClN3OS (CAS 488100-54-5), with molecular formula C32H30ClN3OS and molecular weight 539.18 g/mol. IUPAC: 2-(4-chlorophenyl)-N-(4-ethylphenyl)-6-(4-methoxyphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Chemical Property Profile of C32H30ClN3OS
Property Insights of C32H30ClN3OS
The XLogP value of 8.4231 indicates that C32H30ClN3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.6 Ų, C32H30ClN3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C32H30ClN3OS 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 C32H30ClN3OS?
The CAS number of C32H30ClN3OS is 488100-54-5.
What is the molecular formula of C32H30ClN3OS?
The molecular formula of C32H30ClN3OS is C32H30ClN3OS.
What is the molecular weight of C32H30ClN3OS?
The molecular weight of C32H30ClN3OS is 539.18 g/mol.
Where can I buy C32H30ClN3OS?
You can request a quote for C32H30ClN3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C32H30ClN3OS?
Yes, KEHONG BIO provides custom synthesis services for C32H30ClN3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.