AB00090315-01
TL;DR: AB00090315-01 (CAS 330850-85-6) is a chemical compound with molecular formula C16H17BrN2O5S and molecular weight 428.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanylethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AB00090315-01, A1944/0081673, 2-(methylsulfanyl)ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, 2-(methylsulfanyl)ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-methylsulfanylethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C16H17BrN2O5S |
|---|---|
| Molecular Weight | 428.00 g/mol |
| LogP | 2.7119 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.00415 |
| Heavy Atoms | 25 |
| Complexity | 752.28577 |
Chemical Identifiers
| CAS Number | 330850-85-6 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCSC |
Product Overview
AB00090315-01 (CAS 330850-85-6), with molecular formula C16H17BrN2O5S and molecular weight 428.00 g/mol. IUPAC: 2-methylsulfanylethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AB00090315-01
Property Insights of AB00090315-01
The XLogP value of 2.7119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00090315-01. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00090315-01. Following Lipinski's Rule of Five, AB00090315-01 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 AB00090315-01?
The CAS number of AB00090315-01 is 330850-85-6.
What is the molecular formula of AB00090315-01?
The molecular formula of AB00090315-01 is C16H17BrN2O5S.
What is the molecular weight of AB00090315-01?
The molecular weight of AB00090315-01 is 428.00 g/mol.
Where can I buy AB00090315-01?
You can request a quote for AB00090315-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00090315-01?
Yes, KEHONG BIO provides custom synthesis services for AB00090315-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.