5-23-10-00434 (Beilstein Handbook Reference)
TL;DR: 5-23-10-00434 (Beilstein Handbook Reference) (CAS 61076-87-7) is a chemical compound with molecular formula C12H13FN2O2S and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carboxylate
Also Known As: 5-23-10-00434 (Beilstein Handbook Reference), 1H-Imidazole-1-carboxylic acid, 4,5-dihydro-2-(((4-fluorophenyl)methyl)thio)-, methyl ester, Methyl 4,5-dihydro-2-(((4-fluorophenyl)methyl)thio)-1H-imidazole-1-carboxylate, methyl 2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carboxylate, Methyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole-1-carboxylate
| Molecular Formula | C12H13FN2O2S |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 2.4969 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.06818 |
| Heavy Atoms | 18 |
| Complexity | 461.65015 |
Chemical Identifiers
| CAS Number | 61076-87-7 |
|---|---|
| SMILES | COC(=O)N1CCN=C1SCC2=CC=C(C=C2)F |
Product Overview
5-23-10-00434 (Beilstein Handbook Reference) (CAS 61076-87-7), with molecular formula C12H13FN2O2S and molecular weight 268.07 g/mol. IUPAC: methyl 2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carboxylate.
Chemical Property Profile of 5-23-10-00434 (Beilstein Handbook Reference)
Property Insights of 5-23-10-00434 (Beilstein Handbook Reference)
The XLogP value of 2.4969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-23-10-00434 (Beilstein Handbook Reference). With a topological polar surface area (TPSA) of 41.9 Ų, 5-23-10-00434 (Beilstein Handbook Reference) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-23-10-00434 (Beilstein Handbook Reference) has 0 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 5-23-10-00434 (Beilstein Handbook Reference)?
The CAS number of 5-23-10-00434 (Beilstein Handbook Reference) is 61076-87-7.
What is the molecular formula of 5-23-10-00434 (Beilstein Handbook Reference)?
The molecular formula of 5-23-10-00434 (Beilstein Handbook Reference) is C12H13FN2O2S.
What is the molecular weight of 5-23-10-00434 (Beilstein Handbook Reference)?
The molecular weight of 5-23-10-00434 (Beilstein Handbook Reference) is 268.07 g/mol.
Where can I buy 5-23-10-00434 (Beilstein Handbook Reference)?
You can request a quote for 5-23-10-00434 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-23-10-00434 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-23-10-00434 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.