BAS 00050713
TL;DR: BAS 00050713 (CAS 299965-92-7) is a chemical compound with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00050713, J3.260.069G, prop-2-en-1-yl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, allyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, prop-2-en-1-yl 2-hydroxy-6-(4-methoxyphenyl)-4-methyl-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C16H18N2O4 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 2.0523 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.12665 |
| Heavy Atoms | 22 |
| Complexity | 619.5379 |
Chemical Identifiers
| CAS Number | 299965-92-7 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OC)C(=O)OCC=C |
Product Overview
BAS 00050713 (CAS 299965-92-7), with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol. IUPAC: prop-2-enyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00050713
Property Insights of BAS 00050713
The XLogP value of 2.0523 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00050713. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00050713. Following Lipinski's Rule of Five, BAS 00050713 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 BAS 00050713?
The CAS number of BAS 00050713 is 299965-92-7.
What is the molecular formula of BAS 00050713?
The molecular formula of BAS 00050713 is C16H18N2O4.
What is the molecular weight of BAS 00050713?
The molecular weight of BAS 00050713 is 302.13 g/mol.
Where can I buy BAS 00050713?
You can request a quote for BAS 00050713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00050713?
Yes, KEHONG BIO provides custom synthesis services for BAS 00050713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.