A2971/0125187
TL;DR: A2971/0125187 (CAS 540773-98-6) is a chemical compound with molecular formula C29H25ClN4O2 and molecular weight 496.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: A2971/0125187, N-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carboxamide, N-(3-chlorophenyl)-4-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
| Molecular Formula | C29H25ClN4O2 |
|---|---|
| Molecular Weight | 496.17 g/mol |
| LogP | 6.7204 |
| Topological Polar Surface Area | 60.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.1666 |
| Heavy Atoms | 36 |
| Complexity | 1568.9375 |
Chemical Identifiers
| CAS Number | 540773-98-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(N3C4=C2CCCCN4C(=N3)C5=CC=CC=C5)C(=O)NC6=CC(=CC=C6)Cl |
Product Overview
A2971/0125187 (CAS 540773-98-6), with molecular formula C29H25ClN4O2 and molecular weight 496.17 g/mol. IUPAC: N-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide.
Chemical Property Profile of A2971/0125187
Property Insights of A2971/0125187
The XLogP value of 6.7204 indicates that A2971/0125187 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.56 Ų falls within the moderate polarity range, balancing permeability and solubility for A2971/0125187. Following Lipinski's Rule of Five, A2971/0125187 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2971/0125187?
The CAS number of A2971/0125187 is 540773-98-6.
What is the molecular formula of A2971/0125187?
The molecular formula of A2971/0125187 is C29H25ClN4O2.
What is the molecular weight of A2971/0125187?
The molecular weight of A2971/0125187 is 496.17 g/mol.
Where can I buy A2971/0125187?
You can request a quote for A2971/0125187 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2971/0125187?
Yes, KEHONG BIO provides custom synthesis services for A2971/0125187 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.