5-24-01-00170 (Beilstein Handbook Reference)
TL;DR: 5-24-01-00170 (Beilstein Handbook Reference) (CAS 67257-23-2) is a chemical compound with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(phenylcarbamoyl)-2-sulfanylideneimidazolidine-1-carboxylate
Also Known As: 5-24-01-00170 (Beilstein Handbook Reference), 1-Imidazolidinecarboxylic acid, 3-((phenylamino)carbonyl)-2-thioxo-, methyl ester, Methyl 3-((phenylamino)carbonyl)-2-thioxo-1-imidazolidinecarboxylate, methyl 3-(phenylcarbamoyl)-2-sulfanylideneimidazolidine-1-carboxylate, BRN 0686027
| Molecular Formula | C12H13N3O3S |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 1.8874 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.06775 |
| Heavy Atoms | 19 |
| Complexity | 506.2009 |
Chemical Identifiers
| CAS Number | 67257-23-2 |
|---|---|
| SMILES | COC(=O)N1CCN(C1=S)C(=O)NC2=CC=CC=C2 |
Product Overview
5-24-01-00170 (Beilstein Handbook Reference) (CAS 67257-23-2), with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol. IUPAC: methyl 3-(phenylcarbamoyl)-2-sulfanylideneimidazolidine-1-carboxylate.
Chemical Property Profile of 5-24-01-00170 (Beilstein Handbook Reference)
Property Insights of 5-24-01-00170 (Beilstein Handbook Reference)
The XLogP value of 1.8874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-24-01-00170 (Beilstein Handbook Reference). The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-24-01-00170 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-24-01-00170 (Beilstein Handbook Reference) has 1 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 5-24-01-00170 (Beilstein Handbook Reference)?
The CAS number of 5-24-01-00170 (Beilstein Handbook Reference) is 67257-23-2.
What is the molecular formula of 5-24-01-00170 (Beilstein Handbook Reference)?
The molecular formula of 5-24-01-00170 (Beilstein Handbook Reference) is C12H13N3O3S.
What is the molecular weight of 5-24-01-00170 (Beilstein Handbook Reference)?
The molecular weight of 5-24-01-00170 (Beilstein Handbook Reference) is 279.07 g/mol.
Where can I buy 5-24-01-00170 (Beilstein Handbook Reference)?
You can request a quote for 5-24-01-00170 (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 5-24-01-00170 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-24-01-00170 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.