BAS 00714455
TL;DR: BAS 00714455 (CAS 303138-06-9) is a chemical compound with molecular formula C18H23N3O5 and molecular weight 361.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 3,4-dimethyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: BAS 00714455, pentyl 4-{3-nitrophenyl}-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, pentyl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, pentyl 3,4-dimethyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate, pentyl 3,4-dimethyl-6-(3-nitrophenyl)-2-oxo-1,3,6-trihydropyrimidine-5-carboxy late
| Molecular Formula | C18H23N3O5 |
|---|---|
| Molecular Weight | 361.16 g/mol |
| LogP | 3.2983 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 361.16376 |
| Heavy Atoms | 26 |
| Complexity | 744.09705 |
Chemical Identifiers
| CAS Number | 303138-06-9 |
|---|---|
| SMILES | CCCCCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])C)C |
Product Overview
BAS 00714455 (CAS 303138-06-9), with molecular formula C18H23N3O5 and molecular weight 361.16 g/mol. IUPAC: pentyl 3,4-dimethyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00714455
Property Insights of BAS 00714455
The XLogP value of 3.2983 indicates that BAS 00714455 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00714455. Following Lipinski's Rule of Five, BAS 00714455 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 00714455?
The CAS number of BAS 00714455 is 303138-06-9.
What is the molecular formula of BAS 00714455?
The molecular formula of BAS 00714455 is C18H23N3O5.
What is the molecular weight of BAS 00714455?
The molecular weight of BAS 00714455 is 361.16 g/mol.
Where can I buy BAS 00714455?
You can request a quote for BAS 00714455 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00714455?
Yes, KEHONG BIO provides custom synthesis services for BAS 00714455 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.