A3802/0161369
TL;DR: A3802/0161369 (CAS 727686-40-0) is a chemical compound with molecular formula C27H29N5O2S and molecular weight 487.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5,6-bis(4-propan-2-ylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Also Known As: A3802/0161369, 2-({5,6-bis[4-(propan-2-yl)phenyl]-1,2,4-triazin-3-yl}sulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide, 2-((5,6-bis(4-isopropylphenyl)-1,2,4-triazin-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide, 2-[[5,6-bis(4-propan-2-ylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
| Molecular Formula | C27H29N5O2S |
|---|---|
| Molecular Weight | 487.20 g/mol |
| LogP | 6.47962 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.2042 |
| Heavy Atoms | 35 |
| Complexity | 1298.1635 |
Chemical Identifiers
| CAS Number | 727686-40-0 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=C(C=C3)C(C)C)C4=CC=C(C=C4)C(C)C |
Product Overview
A3802/0161369 (CAS 727686-40-0), with molecular formula C27H29N5O2S and molecular weight 487.20 g/mol. IUPAC: 2-[[5,6-bis(4-propan-2-ylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
Chemical Property Profile of A3802/0161369
Property Insights of A3802/0161369
The XLogP value of 6.47962 indicates that A3802/0161369 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for A3802/0161369. Following Lipinski's Rule of Five, A3802/0161369 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3802/0161369?
The CAS number of A3802/0161369 is 727686-40-0.
What is the molecular formula of A3802/0161369?
The molecular formula of A3802/0161369 is C27H29N5O2S.
What is the molecular weight of A3802/0161369?
The molecular weight of A3802/0161369 is 487.20 g/mol.
Where can I buy A3802/0161369?
You can request a quote for A3802/0161369 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3802/0161369?
Yes, KEHONG BIO provides custom synthesis services for A3802/0161369 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.