A2971/0125186
TL;DR: A2971/0125186 (CAS 540773-97-5) is a chemical compound with molecular formula C29H26N4O2 and molecular weight 462.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methoxyphenyl)-N,2-diphenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: A2971/0125186, 4-(4-methoxyphenyl)-N,1-diphenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide, 1-(4-methoxyphenyl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carboxamide
| Molecular Formula | C29H26N4O2 |
|---|---|
| Molecular Weight | 462.21 g/mol |
| LogP | 6.067 |
| Topological Polar Surface Area | 60.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.20557 |
| Heavy Atoms | 35 |
| Complexity | 1499.889 |
Chemical Identifiers
| CAS Number | 540773-97-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(N3C4=C2CCCCN4C(=N3)C5=CC=CC=C5)C(=O)NC6=CC=CC=C6 |
Product Overview
A2971/0125186 (CAS 540773-97-5), with molecular formula C29H26N4O2 and molecular weight 462.21 g/mol. IUPAC: 6-(4-methoxyphenyl)-N,2-diphenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide.
Chemical Property Profile of A2971/0125186
Property Insights of A2971/0125186
The XLogP value of 6.067 indicates that A2971/0125186 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 A2971/0125186. Following Lipinski's Rule of Five, A2971/0125186 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 A2971/0125186?
The CAS number of A2971/0125186 is 540773-97-5.
What is the molecular formula of A2971/0125186?
The molecular formula of A2971/0125186 is C29H26N4O2.
What is the molecular weight of A2971/0125186?
The molecular weight of A2971/0125186 is 462.21 g/mol.
Where can I buy A2971/0125186?
You can request a quote for A2971/0125186 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2971/0125186?
Yes, KEHONG BIO provides custom synthesis services for A2971/0125186 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.