AS-871/41399736
TL;DR: AS-871/41399736 (CAS 879196-31-3) is a chemical compound with molecular formula C26H27N5O2 and molecular weight 441.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-cyclopentyl-6-imino-11-methyl-2-oxo-N-(1-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: AS-871/41399736, 1-cyclopentyl-2-imino-10-methyl-5-oxo-N-(1-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 1-cyclopentyl-2-imino-10-methyl-5-oxo-N-(1-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
| Molecular Formula | C26H27N5O2 |
|---|---|
| Molecular Weight | 441.22 g/mol |
| LogP | 4.04319 |
| Topological Polar Surface Area | 92.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.21646 |
| Heavy Atoms | 33 |
| Complexity | 1480.3611 |
Chemical Identifiers
| CAS Number | 879196-31-3 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C4CCCC4)C(=O)NC(C)C5=CC=CC=C5 |
Product Overview
AS-871/41399736 (CAS 879196-31-3), with molecular formula C26H27N5O2 and molecular weight 441.22 g/mol. IUPAC: 7-cyclopentyl-6-imino-11-methyl-2-oxo-N-(1-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of AS-871/41399736
Property Insights of AS-871/41399736
The XLogP value of 4.04319 indicates that AS-871/41399736 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.25 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/41399736. Following Lipinski's Rule of Five, AS-871/41399736 has 2 hydrogen bond donor(s) and 4 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 AS-871/41399736?
The CAS number of AS-871/41399736 is 879196-31-3.
What is the molecular formula of AS-871/41399736?
The molecular formula of AS-871/41399736 is C26H27N5O2.
What is the molecular weight of AS-871/41399736?
The molecular weight of AS-871/41399736 is 441.22 g/mol.
Where can I buy AS-871/41399736?
You can request a quote for AS-871/41399736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/41399736?
Yes, KEHONG BIO provides custom synthesis services for AS-871/41399736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.