BAS 00381005
TL;DR: BAS 00381005 (CAS 295344-55-7) is a chemical compound with molecular formula C16H13F5N2O5 and molecular weight 408.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,3-pentafluoropropyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00381005, AB01318124-02, 2,2,3,3,3-pentafluoropropyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, A1032/0048349, 2,2,3,3,3-pentafluoropropyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C16H13F5N2O5 |
|---|---|
| Molecular Weight | 408.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 85.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.07446 |
| Heavy Atoms | 28 |
| Complexity | 681.0 |
Chemical Identifiers
| CAS Number | 295344-55-7 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)OCC(C(F)(F)F)(F)F |
| InChIKey | RSYVPPHQGVOZLG-UHFFFAOYSA-N |
Product Overview
BAS 00381005 (CAS 295344-55-7), with molecular formula C16H13F5N2O5 and molecular weight 408.07 g/mol. IUPAC: 2,2,3,3,3-pentafluoropropyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00381005
Property Insights of BAS 00381005
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00381005. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00381005. Following Lipinski's Rule of Five, BAS 00381005 has 2 hydrogen bond donor(s) and 10 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 00381005?
The CAS number of BAS 00381005 is 295344-55-7.
What is the molecular formula of BAS 00381005?
The molecular formula of BAS 00381005 is C16H13F5N2O5.
What is the molecular weight of BAS 00381005?
The molecular weight of BAS 00381005 is 408.07 g/mol.
Where can I buy BAS 00381005?
You can request a quote for BAS 00381005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00381005?
Yes, KEHONG BIO provides custom synthesis services for BAS 00381005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.