ChemDiv3_004381
TL;DR: ChemDiv3_004381 (CAS 876708-81-5) is a chemical compound with molecular formula C19H16N6O2 and molecular weight 360.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-13-methyl-2-oxo-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: ChemDiv3_004381, IDI1_022291, BRD-K27528628-001-01-4, 2-imino-8-methyl-5-oxo-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 2-IMINO-8-METHYL-5-OXO-1-(3-PYRIDYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE
| Molecular Formula | C19H16N6O2 |
|---|---|
| Molecular Weight | 360.13 g/mol |
| LogP | 0.97929 |
| Topological Polar Surface Area | 119.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.13348 |
| Heavy Atoms | 27 |
| Complexity | 1321.6051 |
Chemical Identifiers
| CAS Number | 876708-81-5 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CC4=CN=CC=C4)C(=O)N)C=C1 |
Product Overview
ChemDiv3_004381 (CAS 876708-81-5), with molecular formula C19H16N6O2 and molecular weight 360.13 g/mol. IUPAC: 6-imino-13-methyl-2-oxo-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of ChemDiv3_004381
Property Insights of ChemDiv3_004381
The XLogP value of 0.97929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004381. The TPSA of 119.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004381. Following Lipinski's Rule of Five, ChemDiv3_004381 has 2 hydrogen bond donor(s) and 5 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_004381?
The CAS number of ChemDiv3_004381 is 876708-81-5.
What is the molecular formula of ChemDiv3_004381?
The molecular formula of ChemDiv3_004381 is C19H16N6O2.
What is the molecular weight of ChemDiv3_004381?
The molecular weight of ChemDiv3_004381 is 360.13 g/mol.
Where can I buy ChemDiv3_004381?
You can request a quote for ChemDiv3_004381 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004381?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004381 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.