BAS 00297713
TL;DR: BAS 00297713 (CAS 298706-79-3) is a chemical compound with molecular formula C16H17BrN2O5 and molecular weight 396.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromopropyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00297713, 3-bromopropyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 3-bromopropyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, 3-BROMOPROPYL 4-(2H-1,3-BENZODIOXOL-5-YL)-6-METHYL-2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, 3-bromopropyl 4-(benzo[d][1,3]dioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C16H17BrN2O5 |
|---|---|
| Molecular Weight | 396.03 g/mol |
| LogP | 2.3714 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.03207 |
| Heavy Atoms | 24 |
| Complexity | 703.70825 |
Chemical Identifiers
| CAS Number | 298706-79-3 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)OCCCBr |
Product Overview
BAS 00297713 (CAS 298706-79-3), with molecular formula C16H17BrN2O5 and molecular weight 396.03 g/mol. IUPAC: 3-bromopropyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00297713
Property Insights of BAS 00297713
The XLogP value of 2.3714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00297713. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00297713. Following Lipinski's Rule of Five, BAS 00297713 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 BAS 00297713?
The CAS number of BAS 00297713 is 298706-79-3.
What is the molecular formula of BAS 00297713?
The molecular formula of BAS 00297713 is C16H17BrN2O5.
What is the molecular weight of BAS 00297713?
The molecular weight of BAS 00297713 is 396.03 g/mol.
Where can I buy BAS 00297713?
You can request a quote for BAS 00297713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00297713?
Yes, KEHONG BIO provides custom synthesis services for BAS 00297713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.