ChemDiv1_001327
TL;DR: ChemDiv1_001327 (CAS 314052-79-4) is a chemical compound with molecular formula C19H23BrN2O5 and molecular weight 438.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopentyl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: ChemDiv1_001327, BAS 00655317, BIM-0028919.P001, AB00127072-02, cyclopentyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C19H23BrN2O5 |
|---|---|
| Molecular Weight | 438.08 g/mol |
| LogP | 3.6192 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.07904 |
| Heavy Atoms | 27 |
| Complexity | 801.5349 |
Chemical Identifiers
| CAS Number | 314052-79-4 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OC3CCCC3 |
Product Overview
ChemDiv1_001327 (CAS 314052-79-4), with molecular formula C19H23BrN2O5 and molecular weight 438.08 g/mol. IUPAC: cyclopentyl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_001327
Property Insights of ChemDiv1_001327
The XLogP value of 3.6192 indicates that ChemDiv1_001327 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001327. Following Lipinski's Rule of Five, ChemDiv1_001327 has 2 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 ChemDiv1_001327?
The CAS number of ChemDiv1_001327 is 314052-79-4.
What is the molecular formula of ChemDiv1_001327?
The molecular formula of ChemDiv1_001327 is C19H23BrN2O5.
What is the molecular weight of ChemDiv1_001327?
The molecular weight of ChemDiv1_001327 is 438.08 g/mol.
Where can I buy ChemDiv1_001327?
You can request a quote for ChemDiv1_001327 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001327?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001327 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.