ChemDiv3_004251
TL;DR: ChemDiv3_004251 (CAS 876708-89-3) is a chemical compound with molecular formula C17H19N5O2 and molecular weight 325.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-N,13-dimethyl-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: ChemDiv3_004251, IDI1_022161, BRD-K87335615-001-01-6, 2-imino-N,8-dimethyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C17H19N5O2 |
|---|---|
| Molecular Weight | 325.15 g/mol |
| LogP | 1.20669 |
| Topological Polar Surface Area | 92.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.15387 |
| Heavy Atoms | 24 |
| Complexity | 1078.1992 |
Chemical Identifiers
| CAS Number | 876708-89-3 |
|---|---|
| SMILES | CCCN1C2=C(C=C(C1=N)C(=O)NC)C(=O)N3C=C(C=CC3=N2)C |
Product Overview
ChemDiv3_004251 (CAS 876708-89-3), with molecular formula C17H19N5O2 and molecular weight 325.15 g/mol. IUPAC: 6-imino-N,13-dimethyl-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of ChemDiv3_004251
Property Insights of ChemDiv3_004251
The XLogP value of 1.20669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004251. The TPSA of 92.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004251. Following Lipinski's Rule of Five, ChemDiv3_004251 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 ChemDiv3_004251?
The CAS number of ChemDiv3_004251 is 876708-89-3.
What is the molecular formula of ChemDiv3_004251?
The molecular formula of ChemDiv3_004251 is C17H19N5O2.
What is the molecular weight of ChemDiv3_004251?
The molecular weight of ChemDiv3_004251 is 325.15 g/mol.
Where can I buy ChemDiv3_004251?
You can request a quote for ChemDiv3_004251 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004251?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004251 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.