S72014
TL;DR: S72014 (CAS 76472-90-7) is a chemical compound with molecular formula C15H25N5O3S and molecular weight 355.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S72014
1-[[bis(2-methylpropyl)amino]methyl]-3-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one
Also Known As: S 72014, S-72014, 1-((Bis(2-methylpropyl)amino)methyl)-3-(5-nitro-2-thiazolyl)-2-imidazolidinone, 1-(5-Nitro-2-thiazolyl)-3-diisobutylaminomethyl-2-imidazolinone, 1-[[bis(2-methylpropyl)amino]methyl]-3-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one
| Molecular Formula | C15H25N5O3S |
|---|---|
| Molecular Weight | 355.17 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 355.16782 |
| Heavy Atoms | 24 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 76472-90-7 |
|---|---|
| SMILES | CC(C)CN(CC(C)C)CN1CCN(C1=O)C2=NC=C(S2)[N+](=O)[O-] |
| InChIKey | XQAYYJIRGINCFP-UHFFFAOYSA-N |
Product Overview
S72014 (CAS 76472-90-7), with molecular formula C15H25N5O3S and molecular weight 355.17 g/mol. IUPAC: 1-[[bis(2-methylpropyl)amino]methyl]-3-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one.
Chemical Property Profile of S72014
Property Insights of S72014
The XLogP value of 3.9 indicates that S72014 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S72014. Following Lipinski's Rule of Five, S72014 has 0 hydrogen bond donor(s) and 6 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 S72014?
The CAS number of S72014 is 76472-90-7.
What is the molecular formula of S72014?
The molecular formula of S72014 is C15H25N5O3S.
What is the molecular weight of S72014?
The molecular weight of S72014 is 355.17 g/mol.
Where can I buy S72014?
You can request a quote for S72014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S72014?
Yes, KEHONG BIO provides custom synthesis services for S72014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.