BAS 03353570
TL;DR: BAS 03353570 (CAS 1005054-35-2) is a chemical compound with molecular formula C21H21F3N2O6 and molecular weight 454.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-5-(4-methoxybenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: BAS 03353570, 6-(3-Ethoxy-4-hydroxy-phenyl)-4-hydroxy-5-(4-methoxy-benzoyl)-4-trifluoromethyl-tetrahydro-pyrimidin-2-one, 6-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-5-(4-methoxybenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one, 6-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-5-(4-methoxybenzoyl)-4-(trifluoromethyl)tetrahydro-2(1H)-pyrimidinone, 6-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-5-[(4-methoxyphenyl)carbonyl]-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
| Molecular Formula | C21H21F3N2O6 |
|---|---|
| Molecular Weight | 454.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.13516 |
| Heavy Atoms | 32 |
| Complexity | 685.0 |
Chemical Identifiers
| CAS Number | 1005054-35-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)OC)O |
| InChIKey | KGUWKAPJHDUIMD-UHFFFAOYSA-N |
Product Overview
BAS 03353570 (CAS 1005054-35-2), with molecular formula C21H21F3N2O6 and molecular weight 454.14 g/mol. IUPAC: 6-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-5-(4-methoxybenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one.
Chemical Property Profile of BAS 03353570
Property Insights of BAS 03353570
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03353570. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03353570. Following Lipinski's Rule of Five, BAS 03353570 has 4 hydrogen bond donor(s) and 9 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 03353570?
The CAS number of BAS 03353570 is 1005054-35-2.
What is the molecular formula of BAS 03353570?
The molecular formula of BAS 03353570 is C21H21F3N2O6.
What is the molecular weight of BAS 03353570?
The molecular weight of BAS 03353570 is 454.14 g/mol.
Where can I buy BAS 03353570?
You can request a quote for BAS 03353570 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03353570?
Yes, KEHONG BIO provides custom synthesis services for BAS 03353570 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.