AN-655/13869044
TL;DR: AN-655/13869044 (CAS 354775-86-3) is a chemical compound with molecular formula C14H15IN2O4S and molecular weight 433.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-hydroxy-3-iodo-5-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AN-655/13869044, methyl 4-(4-hydroxy-3-iodo-5-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, methyl 4-(4-hydroxy-3-iodo-5-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C14H15IN2O4S |
|---|---|
| Molecular Weight | 433.98 g/mol |
| LogP | 1.9712 |
| Topological Polar Surface Area | 79.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 433.97974 |
| Heavy Atoms | 22 |
| Complexity | 675.0518 |
Chemical Identifiers
| CAS Number | 354775-86-3 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)I)O)OC)C(=O)OC |
Product Overview
AN-655/13869044 (CAS 354775-86-3), with molecular formula C14H15IN2O4S and molecular weight 433.98 g/mol. IUPAC: methyl 4-(4-hydroxy-3-iodo-5-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AN-655/13869044
Property Insights of AN-655/13869044
The XLogP value of 1.9712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-655/13869044. The TPSA of 79.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/13869044. Following Lipinski's Rule of Five, AN-655/13869044 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-655/13869044?
The CAS number of AN-655/13869044 is 354775-86-3.
What is the molecular formula of AN-655/13869044?
The molecular formula of AN-655/13869044 is C14H15IN2O4S.
What is the molecular weight of AN-655/13869044?
The molecular weight of AN-655/13869044 is 433.98 g/mol.
Where can I buy AN-655/13869044?
You can request a quote for AN-655/13869044 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13869044?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13869044 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.