AB00106206-01
TL;DR: AB00106206-01 (CAS 352694-45-2) is a chemical compound with molecular formula C16H19BrN2O4S and molecular weight 414.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AB00106206-01, ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, ETHYL 4-(3-BROMO-5-ETHOXY-4-HYDROXYPHENYL)-6-METHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C16H19BrN2O4S |
|---|---|
| Molecular Weight | 414.02 g/mol |
| LogP | 2.9093 |
| Topological Polar Surface Area | 79.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.0249 |
| Heavy Atoms | 24 |
| Complexity | 705.563 |
Chemical Identifiers
| CAS Number | 352694-45-2 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)Br)O |
Product Overview
AB00106206-01 (CAS 352694-45-2), with molecular formula C16H19BrN2O4S and molecular weight 414.02 g/mol. IUPAC: ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AB00106206-01
Property Insights of AB00106206-01
The XLogP value of 2.9093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00106206-01. The TPSA of 79.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00106206-01. Following Lipinski's Rule of Five, AB00106206-01 has 3 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 AB00106206-01?
The CAS number of AB00106206-01 is 352694-45-2.
What is the molecular formula of AB00106206-01?
The molecular formula of AB00106206-01 is C16H19BrN2O4S.
What is the molecular weight of AB00106206-01?
The molecular weight of AB00106206-01 is 414.02 g/mol.
Where can I buy AB00106206-01?
You can request a quote for AB00106206-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00106206-01?
Yes, KEHONG BIO provides custom synthesis services for AB00106206-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.