A2917/0122917
TL;DR: A2917/0122917 (CAS 397291-00-8) is a chemical compound with molecular formula C32H31N3OS and molecular weight 505.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dimethylphenyl)-6-(4-methoxyphenyl)-2-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: A2917/0122917, N-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
| Molecular Formula | C32H31N3OS |
|---|---|
| Molecular Weight | 505.22 g/mol |
| LogP | 7.82414 |
| Topological Polar Surface Area | 30.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 505.21878 |
| Heavy Atoms | 37 |
| Complexity | 1610.1198 |
Chemical Identifiers
| CAS Number | 397291-00-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=CC=C5)C6=CC=C(C=C6)OC)C |
Product Overview
A2917/0122917 (CAS 397291-00-8), with molecular formula C32H31N3OS and molecular weight 505.22 g/mol. IUPAC: N-(2,3-dimethylphenyl)-6-(4-methoxyphenyl)-2-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Chemical Property Profile of A2917/0122917
Property Insights of A2917/0122917
The XLogP value of 7.82414 indicates that A2917/0122917 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.6 Ų, A2917/0122917 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2917/0122917 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 A2917/0122917?
The CAS number of A2917/0122917 is 397291-00-8.
What is the molecular formula of A2917/0122917?
The molecular formula of A2917/0122917 is C32H31N3OS.
What is the molecular weight of A2917/0122917?
The molecular weight of A2917/0122917 is 505.22 g/mol.
Where can I buy A2917/0122917?
You can request a quote for A2917/0122917 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2917/0122917?
Yes, KEHONG BIO provides custom synthesis services for A2917/0122917 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.