ChemDiv3_004941
TL;DR: ChemDiv3_004941 (CAS 618080-76-5) is a chemical compound with molecular formula C16H16N4O3 and molecular weight 312.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-imino-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: ChemDiv3_004941, BAS 05509244, IDI1_022851, BRD-K86495961-001-01-9, methyl 2-imino-1-isopropyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate
| Molecular Formula | C16H16N4O3 |
|---|---|
| Molecular Weight | 312.12 g/mol |
| LogP | 1.49617 |
| Topological Polar Surface Area | 89.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.12225 |
| Heavy Atoms | 23 |
| Complexity | 1046.7894 |
Chemical Identifiers
| CAS Number | 618080-76-5 |
|---|---|
| SMILES | CC(C)N1C2=C(C=C(C1=N)C(=O)OC)C(=O)N3C=CC=CC3=N2 |
Product Overview
ChemDiv3_004941 (CAS 618080-76-5), with molecular formula C16H16N4O3 and molecular weight 312.12 g/mol. IUPAC: methyl 6-imino-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of ChemDiv3_004941
Property Insights of ChemDiv3_004941
The XLogP value of 1.49617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004941. The TPSA of 89.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004941. Following Lipinski's Rule of Five, ChemDiv3_004941 has 1 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_004941?
The CAS number of ChemDiv3_004941 is 618080-76-5.
What is the molecular formula of ChemDiv3_004941?
The molecular formula of ChemDiv3_004941 is C16H16N4O3.
What is the molecular weight of ChemDiv3_004941?
The molecular weight of ChemDiv3_004941 is 312.12 g/mol.
Where can I buy ChemDiv3_004941?
You can request a quote for ChemDiv3_004941 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004941?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004941 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.