BAS 00751698
TL;DR: BAS 00751698 (CAS 314046-91-8) is a chemical compound with molecular formula C16H19IN2O3 and molecular weight 414.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 6-(2-iodophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: BAS 00751698, propyl 4-(2-iodophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, F0347-3556, propyl 6-(2-iodophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate, 4-(2-Iodo-phenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic
| Molecular Formula | C16H19IN2O3 |
|---|---|
| Molecular Weight | 414.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.04404 |
| Heavy Atoms | 22 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 314046-91-8 |
|---|---|
| SMILES | CCCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2I)C)C |
| InChIKey | TVGFIRPWPFRKRQ-UHFFFAOYSA-N |
Product Overview
BAS 00751698 (CAS 314046-91-8), with molecular formula C16H19IN2O3 and molecular weight 414.04 g/mol. IUPAC: propyl 6-(2-iodophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00751698
Property Insights of BAS 00751698
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00751698. With a topological polar surface area (TPSA) of 58.6 Ų, BAS 00751698 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00751698 has 1 hydrogen bond donor(s) and 3 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 00751698?
The CAS number of BAS 00751698 is 314046-91-8.
What is the molecular formula of BAS 00751698?
The molecular formula of BAS 00751698 is C16H19IN2O3.
What is the molecular weight of BAS 00751698?
The molecular weight of BAS 00751698 is 414.04 g/mol.
Where can I buy BAS 00751698?
You can request a quote for BAS 00751698 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00751698?
Yes, KEHONG BIO provides custom synthesis services for BAS 00751698 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.