AO-081/40878573
TL;DR: AO-081/40878573 (CAS 433260-65-2) is a chemical compound with molecular formula C15H18BrN3O3S and molecular weight 399.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-bromo-2,4-dimethoxyphenyl)-N,6-dimethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: AO-081/40878573, 4-(5-bromo-2,4-dimethoxyphenyl)-N,6-dimethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, 4-(5-bromo-2,4-dimethoxyphenyl)-N,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, 4-(5-BROMO-2,4-DIMETHOXYPHENYL)-N,6-DIMETHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXAMIDE, 4-(5-bromo-2,4-dimethoxyphenyl)-N,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
| Molecular Formula | C15H18BrN3O3S |
|---|---|
| Molecular Weight | 399.03 g/mol |
| LogP | 2.0051 |
| Topological Polar Surface Area | 71.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.02524 |
| Heavy Atoms | 23 |
| Complexity | 690.78986 |
Chemical Identifiers
| CAS Number | 433260-65-2 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2OC)OC)Br)C(=O)NC |
Product Overview
AO-081/40878573 (CAS 433260-65-2), with molecular formula C15H18BrN3O3S and molecular weight 399.03 g/mol. IUPAC: 4-(5-bromo-2,4-dimethoxyphenyl)-N,6-dimethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of AO-081/40878573
Property Insights of AO-081/40878573
The XLogP value of 2.0051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/40878573. The TPSA of 71.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/40878573. Following Lipinski's Rule of Five, AO-081/40878573 has 3 hydrogen bond donor(s) and 4 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 AO-081/40878573?
The CAS number of AO-081/40878573 is 433260-65-2.
What is the molecular formula of AO-081/40878573?
The molecular formula of AO-081/40878573 is C15H18BrN3O3S.
What is the molecular weight of AO-081/40878573?
The molecular weight of AO-081/40878573 is 399.03 g/mol.
Where can I buy AO-081/40878573?
You can request a quote for AO-081/40878573 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40878573?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40878573 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.