10E-396S
TL;DR: 10E-396S (CAS 242472-18-0) is a chemical compound with molecular formula C17H18N4O2S and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]-3-prop-2-enylthiourea
Also Known As: 10E-396S, N-allyl-2-[(1-benzyl-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]-1-hydrazinecarbothioamide, 1-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]-3-prop-2-enylthiourea, 1-benzyl-2-oxo-N-{[(prop-2-en-1-yl)carbamothioyl]amino}-1,2-dihydropyridine-3-carboxamide, 1,2-Dihydro-2-oxo-1-(phenylmethyl)-3-pyridinecarboxylic acid 2-[(2-propen-1-ylamino)thioxomethyl]hydrazide
| Molecular Formula | C17H18N4O2S |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 1.1915 |
| Topological Polar Surface Area | 75.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.11505 |
| Heavy Atoms | 24 |
| Complexity | 786.6776 |
Chemical Identifiers
| CAS Number | 242472-18-0 |
|---|---|
| SMILES | C=CCNC(=S)NNC(=O)C1=CC=CN(C1=O)CC2=CC=CC=C2 |
Product Overview
10E-396S (CAS 242472-18-0), with molecular formula C17H18N4O2S and molecular weight 342.12 g/mol. IUPAC: 1-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]-3-prop-2-enylthiourea.
Chemical Property Profile of 10E-396S
Property Insights of 10E-396S
The XLogP value of 1.1915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10E-396S. The TPSA of 75.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 10E-396S. Following Lipinski's Rule of Five, 10E-396S has 3 hydrogen bond donor(s) and 3 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 10E-396S?
The CAS number of 10E-396S is 242472-18-0.
What is the molecular formula of 10E-396S?
The molecular formula of 10E-396S is C17H18N4O2S.
What is the molecular weight of 10E-396S?
The molecular weight of 10E-396S is 342.12 g/mol.
Where can I buy 10E-396S?
You can request a quote for 10E-396S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10E-396S?
Yes, KEHONG BIO provides custom synthesis services for 10E-396S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.