BAS 04995253
TL;DR: BAS 04995253 (CAS 371130-06-2) is a chemical compound with molecular formula C21H18N4O3 and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-imino-2-oxo-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: BAS 04995253, methyl 2-imino-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, methyl 2-imino-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate, METHYL 2-IMINO-5-OXO-1-PHENETHYL-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXYLATE, methyl 2-imino-5-oxo-1-phenethyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C21H18N4O3 |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 2.15797 |
| Topological Polar Surface Area | 89.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.13788 |
| Heavy Atoms | 28 |
| Complexity | 1306.5315 |
Chemical Identifiers
| CAS Number | 371130-06-2 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CCC4=CC=CC=C4 |
Product Overview
BAS 04995253 (CAS 371130-06-2), with molecular formula C21H18N4O3 and molecular weight 374.14 g/mol. IUPAC: methyl 6-imino-2-oxo-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of BAS 04995253
Property Insights of BAS 04995253
The XLogP value of 2.15797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04995253. The TPSA of 89.45 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04995253. Following Lipinski's Rule of Five, BAS 04995253 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 04995253?
The CAS number of BAS 04995253 is 371130-06-2.
What is the molecular formula of BAS 04995253?
The molecular formula of BAS 04995253 is C21H18N4O3.
What is the molecular weight of BAS 04995253?
The molecular weight of BAS 04995253 is 374.14 g/mol.
Where can I buy BAS 04995253?
You can request a quote for BAS 04995253 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04995253?
Yes, KEHONG BIO provides custom synthesis services for BAS 04995253 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.