A3654/0154957
TL;DR: A3654/0154957 (CAS 697245-46-8) is a chemical compound with molecular formula C25H25N5O3S and molecular weight 475.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(11,11-dimethyl-7-phenyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
Also Known As: A3654/0154957, 2-[(8,8-dimethyl-5-phenyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide, 2-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(3-methoxyphenyl)acetamide, 2-(3,3-dimethyl-6-phenyl(3,4,7-trihydro-1H-pyrano[4,3-d]1,2,4-triazolo[4,5-e]p yrimidin-8-ylthio))-N-(3-methoxyphenyl)acetamide
| Molecular Formula | C25H25N5O3S |
|---|---|
| Molecular Weight | 475.17 g/mol |
| LogP | 4.382 |
| Topological Polar Surface Area | 90.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.16782 |
| Heavy Atoms | 34 |
| Complexity | 1353.6824 |
Chemical Identifiers
| CAS Number | 697245-46-8 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C3=NN=C(N3C(=N2)C4=CC=CC=C4)SCC(=O)NC5=CC(=CC=C5)OC)C |
Product Overview
A3654/0154957 (CAS 697245-46-8), with molecular formula C25H25N5O3S and molecular weight 475.17 g/mol. IUPAC: 2-[(11,11-dimethyl-7-phenyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide.
Chemical Property Profile of A3654/0154957
Property Insights of A3654/0154957
The XLogP value of 4.382 indicates that A3654/0154957 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.64 Ų falls within the moderate polarity range, balancing permeability and solubility for A3654/0154957. Following Lipinski's Rule of Five, A3654/0154957 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3654/0154957?
The CAS number of A3654/0154957 is 697245-46-8.
What is the molecular formula of A3654/0154957?
The molecular formula of A3654/0154957 is C25H25N5O3S.
What is the molecular weight of A3654/0154957?
The molecular weight of A3654/0154957 is 475.17 g/mol.
Where can I buy A3654/0154957?
You can request a quote for A3654/0154957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3654/0154957?
Yes, KEHONG BIO provides custom synthesis services for A3654/0154957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.