BAS 04995875
TL;DR: BAS 04995875 (CAS 618078-31-2) is a chemical compound with molecular formula C20H22N4O3 and molecular weight 366.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-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-carboxylate
Also Known As: BAS 04995875, Methyl 1-cyclohexyl-2-imino-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, methyl 1-cyclohexyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate, 645-546-6, Methyl 1-cyclohexyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxylate
| Molecular Formula | C20H22N4O3 |
|---|---|
| Molecular Weight | 366.17 g/mol |
| LogP | 2.72889 |
| Topological Polar Surface Area | 89.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.1692 |
| Heavy Atoms | 27 |
| Complexity | 1169.7524 |
Chemical Identifiers
| CAS Number | 618078-31-2 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C4CCCCC4)C(=O)OC |
Product Overview
BAS 04995875 (CAS 618078-31-2), with molecular formula C20H22N4O3 and molecular weight 366.17 g/mol. IUPAC: methyl 7-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-carboxylate.
Chemical Property Profile of BAS 04995875
Property Insights of BAS 04995875
The XLogP value of 2.72889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04995875. The TPSA of 89.45 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04995875. Following Lipinski's Rule of Five, BAS 04995875 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 BAS 04995875?
The CAS number of BAS 04995875 is 618078-31-2.
What is the molecular formula of BAS 04995875?
The molecular formula of BAS 04995875 is C20H22N4O3.
What is the molecular weight of BAS 04995875?
The molecular weight of BAS 04995875 is 366.17 g/mol.
Where can I buy BAS 04995875?
You can request a quote for BAS 04995875 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04995875?
Yes, KEHONG BIO provides custom synthesis services for BAS 04995875 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.