F1038-0253
TL;DR: F1038-0253 (CAS 681257-91-0) is a chemical compound with molecular formula C26H24N2O3S and molecular weight 444.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-phenyl-4-(3-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: F1038-0253, ethyl 4-[3-(benzyloxy)phenyl]-6-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 4-(3-(benzyloxy)phenyl)-6-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 6-phenyl-4-(3-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, Ethyl 4-phenyl-6-(3-phenylmethoxyphenyl)-2-sulfanylidene-3,6-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C26H24N2O3S |
|---|---|
| Molecular Weight | 444.15 g/mol |
| LogP | 4.7588 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.15076 |
| Heavy Atoms | 32 |
| Complexity | 1130.0785 |
Chemical Identifiers
| CAS Number | 681257-91-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
F1038-0253 (CAS 681257-91-0), with molecular formula C26H24N2O3S and molecular weight 444.15 g/mol. IUPAC: ethyl 6-phenyl-4-(3-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of F1038-0253
Property Insights of F1038-0253
The XLogP value of 4.7588 indicates that F1038-0253 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, F1038-0253 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1038-0253 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 F1038-0253?
The CAS number of F1038-0253 is 681257-91-0.
What is the molecular formula of F1038-0253?
The molecular formula of F1038-0253 is C26H24N2O3S.
What is the molecular weight of F1038-0253?
The molecular weight of F1038-0253 is 444.15 g/mol.
Where can I buy F1038-0253?
You can request a quote for F1038-0253 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1038-0253?
Yes, KEHONG BIO provides custom synthesis services for F1038-0253 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.