BAS 00689445
TL;DR: BAS 00689445 (CAS 328557-07-9) is a chemical compound with molecular formula C21H22ClN3O5 and molecular weight 431.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00689445, AB00092907-01, N-(4-chlorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide, N-(4-chlorophenyl)-6-methyl-2-oxo-4-[3,4,5-tris(methyloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxamide, N-(4-CHLOROPHENYL)-6-METHYL-2-OXO-4-(3,4,5-TRIMETHOXYPHENYL)-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXAMIDE
| Molecular Formula | C21H22ClN3O5 |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 3.6324 |
| Topological Polar Surface Area | 97.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.1248 |
| Heavy Atoms | 30 |
| Complexity | 979.1966 |
Chemical Identifiers
| CAS Number | 328557-07-9 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)NC3=CC=C(C=C3)Cl |
Product Overview
BAS 00689445 (CAS 328557-07-9), with molecular formula C21H22ClN3O5 and molecular weight 431.12 g/mol. IUPAC: N-(4-chlorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00689445
Property Insights of BAS 00689445
The XLogP value of 3.6324 indicates that BAS 00689445 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00689445. Following Lipinski's Rule of Five, BAS 00689445 has 3 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 00689445?
The CAS number of BAS 00689445 is 328557-07-9.
What is the molecular formula of BAS 00689445?
The molecular formula of BAS 00689445 is C21H22ClN3O5.
What is the molecular weight of BAS 00689445?
The molecular weight of BAS 00689445 is 431.12 g/mol.
Where can I buy BAS 00689445?
You can request a quote for BAS 00689445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00689445?
Yes, KEHONG BIO provides custom synthesis services for BAS 00689445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.