AN-655/13869046
TL;DR: AN-655/13869046 (CAS 354775-90-9) is a chemical compound with molecular formula C15H17IN2O4S and molecular weight 448.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AN-655/13869046, AB00106179-01, methyl 4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, methyl 4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, METHYL 4-(3-ETHOXY-4-HYDROXY-5-IODOPHENYL)-6-METHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
| Molecular Formula | C15H17IN2O4S |
|---|---|
| Molecular Weight | 448.00 g/mol |
| LogP | 2.3613 |
| Topological Polar Surface Area | 79.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.9954 |
| Heavy Atoms | 23 |
| Complexity | 690.2996 |
Chemical Identifiers
| CAS Number | 354775-90-9 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OC)I)O |
Product Overview
AN-655/13869046 (CAS 354775-90-9), with molecular formula C15H17IN2O4S and molecular weight 448.00 g/mol. IUPAC: methyl 4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AN-655/13869046
Property Insights of AN-655/13869046
The XLogP value of 2.3613 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-655/13869046. The TPSA of 79.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/13869046. Following Lipinski's Rule of Five, AN-655/13869046 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 AN-655/13869046?
The CAS number of AN-655/13869046 is 354775-90-9.
What is the molecular formula of AN-655/13869046?
The molecular formula of AN-655/13869046 is C15H17IN2O4S.
What is the molecular weight of AN-655/13869046?
The molecular weight of AN-655/13869046 is 448.00 g/mol.
Where can I buy AN-655/13869046?
You can request a quote for AN-655/13869046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13869046?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13869046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.