AN-655/13869054
TL;DR: AN-655/13869054 (CAS 354776-00-4) is a chemical compound with molecular formula C20H19ClN2O3S and molecular weight 402.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(5-chloro-2-phenylmethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AN-655/13869054, methyl 4-(5-chloro-2-phenylmethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, methyl 4-(2-(benzyloxy)-5-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 4-[2-(benzyloxy)-5-chlorophenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C20H19ClN2O3S |
|---|---|
| Molecular Weight | 402.08 g/mol |
| LogP | 3.8848 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.0805 |
| Heavy Atoms | 27 |
| Complexity | 899.35474 |
Chemical Identifiers
| CAS Number | 354776-00-4 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)C(=O)OC |
Product Overview
AN-655/13869054 (CAS 354776-00-4), with molecular formula C20H19ClN2O3S and molecular weight 402.08 g/mol. IUPAC: methyl 4-(5-chloro-2-phenylmethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AN-655/13869054
Property Insights of AN-655/13869054
The XLogP value of 3.8848 indicates that AN-655/13869054 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, AN-655/13869054 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-655/13869054 has 2 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 AN-655/13869054?
The CAS number of AN-655/13869054 is 354776-00-4.
What is the molecular formula of AN-655/13869054?
The molecular formula of AN-655/13869054 is C20H19ClN2O3S.
What is the molecular weight of AN-655/13869054?
The molecular weight of AN-655/13869054 is 402.08 g/mol.
Where can I buy AN-655/13869054?
You can request a quote for AN-655/13869054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13869054?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13869054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.