BAS 00380953
TL;DR: BAS 00380953 (CAS 295344-34-2) is a chemical compound with molecular formula C21H28N2O4 and molecular weight 372.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclooctyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00380953, cyclooctyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, cyclooctyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, Cyclooctyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, Cyclooctyl 3,4-dihydro-4-(4-methoxyphenyl)-6-methyl-2(1H)-oxopyrimidine-5-carboxylate
| Molecular Formula | C21H28N2O4 |
|---|---|
| Molecular Weight | 372.20 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.2049 |
| Heavy Atoms | 27 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 295344-34-2 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OC)C(=O)OC3CCCCCCC3 |
| InChIKey | YENQTFHBAXRKCL-UHFFFAOYSA-N |
Product Overview
BAS 00380953 (CAS 295344-34-2), with molecular formula C21H28N2O4 and molecular weight 372.20 g/mol. IUPAC: cyclooctyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00380953
Property Insights of BAS 00380953
The XLogP value of 3.9 indicates that BAS 00380953 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00380953. Following Lipinski's Rule of Five, BAS 00380953 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 00380953?
The CAS number of BAS 00380953 is 295344-34-2.
What is the molecular formula of BAS 00380953?
The molecular formula of BAS 00380953 is C21H28N2O4.
What is the molecular weight of BAS 00380953?
The molecular weight of BAS 00380953 is 372.20 g/mol.
Where can I buy BAS 00380953?
You can request a quote for BAS 00380953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00380953?
Yes, KEHONG BIO provides custom synthesis services for BAS 00380953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.