AB00113501-01
TL;DR: AB00113501-01 (CAS 364745-91-5) is a chemical compound with molecular formula C15H17BrN2O5 and molecular weight 384.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-bromo-4,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AB00113501-01, A2957/0124500, methyl 4-(3-bromo-4,5-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 4-(3-bromo-4,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C15H17BrN2O5 |
|---|---|
| Molecular Weight | 384.03 g/mol |
| LogP | 2.2672 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.03207 |
| Heavy Atoms | 23 |
| Complexity | 686.68994 |
Chemical Identifiers
| CAS Number | 364745-91-5 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Br)OC)OC)C(=O)OC |
Product Overview
AB00113501-01 (CAS 364745-91-5), with molecular formula C15H17BrN2O5 and molecular weight 384.03 g/mol. IUPAC: methyl 4-(3-bromo-4,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AB00113501-01
Property Insights of AB00113501-01
The XLogP value of 2.2672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00113501-01. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00113501-01. Following Lipinski's Rule of Five, AB00113501-01 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 AB00113501-01?
The CAS number of AB00113501-01 is 364745-91-5.
What is the molecular formula of AB00113501-01?
The molecular formula of AB00113501-01 is C15H17BrN2O5.
What is the molecular weight of AB00113501-01?
The molecular weight of AB00113501-01 is 384.03 g/mol.
Where can I buy AB00113501-01?
You can request a quote for AB00113501-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00113501-01?
Yes, KEHONG BIO provides custom synthesis services for AB00113501-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.