AS-871/41399173
TL;DR: AS-871/41399173 (CAS 867136-61-6) is a chemical compound with molecular formula C27H30N6O3 and molecular weight 486.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-6-imino-11-methyl-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: AS-871/41399173, N-benzyl-6-imino-11-methyl-7-[3-(morpholin-4-yl)propyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, N-benzyl-6-imino-11-methyl-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, N-benzyl-2-imino-10-methyl-1-(3-morpholin-4-ylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-benzyl-2-imino-10-methyl-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C27H30N6O3 |
|---|---|
| Molecular Weight | 486.24 g/mol |
| LogP | 2.08939 |
| Topological Polar Surface Area | 104.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.23795 |
| Heavy Atoms | 36 |
| Complexity | 1520.353 |
Chemical Identifiers
| CAS Number | 867136-61-6 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCN4CCOCC4)C(=O)NCC5=CC=CC=C5 |
Product Overview
AS-871/41399173 (CAS 867136-61-6), with molecular formula C27H30N6O3 and molecular weight 486.24 g/mol. IUPAC: N-benzyl-6-imino-11-methyl-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of AS-871/41399173
Property Insights of AS-871/41399173
The XLogP value of 2.08939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/41399173. The TPSA of 104.72 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/41399173. Following Lipinski's Rule of Five, AS-871/41399173 has 2 hydrogen bond donor(s) and 6 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-871/41399173?
The CAS number of AS-871/41399173 is 867136-61-6.
What is the molecular formula of AS-871/41399173?
The molecular formula of AS-871/41399173 is C27H30N6O3.
What is the molecular weight of AS-871/41399173?
The molecular weight of AS-871/41399173 is 486.24 g/mol.
Where can I buy AS-871/41399173?
You can request a quote for AS-871/41399173 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/41399173?
Yes, KEHONG BIO provides custom synthesis services for AS-871/41399173 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.