BAS 03538316
TL;DR: BAS 03538316 (CAS 1005138-70-4) is a chemical compound with molecular formula C20H17F3N2O6 and molecular weight 438.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzodioxol-5-yl)-4-hydroxy-5-(4-methoxybenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: BAS 03538316, 6-(1,3-benzodioxol-5-yl)-4-hydroxy-5-(4-methoxybenzoyl)-4-(trifluoromethyl)tetrahydro-2(1H)-pyrimidinone, 6-(1,3-benzodioxol-5-yl)-4-hydroxy-5-(4-methoxybenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one, 6-(1,3-benzodioxol-5-yl)-4-hydroxy-5-[(4-methoxyphenyl)carbonyl]-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one, 6-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-5-(4-methoxybenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
| Molecular Formula | C20H17F3N2O6 |
|---|---|
| Molecular Weight | 438.10 g/mol |
| LogP | 2.5278 |
| Topological Polar Surface Area | 106.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.10388 |
| Heavy Atoms | 31 |
| Complexity | 1026.5656 |
Chemical Identifiers
| CAS Number | 1005138-70-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=CC4=C(C=C3)OCO4 |
Product Overview
BAS 03538316 (CAS 1005138-70-4), with molecular formula C20H17F3N2O6 and molecular weight 438.10 g/mol. IUPAC: 6-(1,3-benzodioxol-5-yl)-4-hydroxy-5-(4-methoxybenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one.
Chemical Property Profile of BAS 03538316
Property Insights of BAS 03538316
The XLogP value of 2.5278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03538316. The TPSA of 106.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03538316. Following Lipinski's Rule of Five, BAS 03538316 has 3 hydrogen bond donor(s) and 6 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 03538316?
The CAS number of BAS 03538316 is 1005138-70-4.
What is the molecular formula of BAS 03538316?
The molecular formula of BAS 03538316 is C20H17F3N2O6.
What is the molecular weight of BAS 03538316?
The molecular weight of BAS 03538316 is 438.10 g/mol.
Where can I buy BAS 03538316?
You can request a quote for BAS 03538316 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03538316?
Yes, KEHONG BIO provides custom synthesis services for BAS 03538316 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.