RefChem:431099
TL;DR: RefChem:431099 (CAS 617697-68-4) is a chemical compound with molecular formula C23H29N5O2 and molecular weight 407.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butyl-N-cyclohexyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: AF-399/41399810, 1-butyl-N-cyclohexyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a, 1-butyl-N-cyclohexyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide, 1-Butyl-N-cyclohexyl-2-imino-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, (1-butyl-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d]pyridino[1,2-a]pyri midin-3-yl))-N-cyclohexylcarboxamide
| Molecular Formula | C23H29N5O2 |
|---|---|
| Molecular Weight | 407.23 g/mol |
| LogP | 3.29969 |
| Topological Polar Surface Area | 92.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.23212 |
| Heavy Atoms | 30 |
| Complexity | 1218.1941 |
Chemical Identifiers
| CAS Number | 617697-68-4 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C1=N)C(=O)NC3CCCCC3)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
RefChem:431099 (CAS 617697-68-4), with molecular formula C23H29N5O2 and molecular weight 407.23 g/mol. IUPAC: 7-butyl-N-cyclohexyl-6-imino-11-methyl-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 RefChem:431099
Property Insights of RefChem:431099
The XLogP value of 3.29969 indicates that RefChem:431099 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 RefChem:431099. Following Lipinski's Rule of Five, RefChem:431099 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 RefChem:431099?
The CAS number of RefChem:431099 is 617697-68-4.
What is the molecular formula of RefChem:431099?
The molecular formula of RefChem:431099 is C23H29N5O2.
What is the molecular weight of RefChem:431099?
The molecular weight of RefChem:431099 is 407.23 g/mol.
Where can I buy RefChem:431099?
You can request a quote for RefChem:431099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:431099?
Yes, KEHONG BIO provides custom synthesis services for RefChem:431099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.