BAS 00915772
TL;DR: BAS 00915772 (CAS 329048-28-4) is a chemical compound with molecular formula C16H14BrN3O5 and molecular weight 407.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanoethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00915772, BIM-0025597.P001, AB00812559-04, A1801/0076149, 2-cyanoethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C16H14BrN3O5 |
|---|---|
| Molecular Weight | 407.01 g/mol |
| LogP | 2.26258 |
| Topological Polar Surface Area | 109.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.0117 |
| Heavy Atoms | 25 |
| Complexity | 814.7236 |
Chemical Identifiers
| CAS Number | 329048-28-4 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCC#N |
Product Overview
BAS 00915772 (CAS 329048-28-4), with molecular formula C16H14BrN3O5 and molecular weight 407.01 g/mol. IUPAC: 2-cyanoethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00915772
Property Insights of BAS 00915772
The XLogP value of 2.26258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00915772. The TPSA of 109.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00915772. Following Lipinski's Rule of Five, BAS 00915772 has 2 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 00915772?
The CAS number of BAS 00915772 is 329048-28-4.
What is the molecular formula of BAS 00915772?
The molecular formula of BAS 00915772 is C16H14BrN3O5.
What is the molecular weight of BAS 00915772?
The molecular weight of BAS 00915772 is 407.01 g/mol.
Where can I buy BAS 00915772?
You can request a quote for BAS 00915772 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00915772?
Yes, KEHONG BIO provides custom synthesis services for BAS 00915772 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.