CID 40753
TL;DR: CID 40753 (CAS 53404-13-0) is a chemical compound with molecular formula C12H16Cl3NO4 and molecular weight 343.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxypropan-2-ylazanium;2-(2,4,5-trichlorophenoxy)propanoate
Also Known As: Fenoprop isopropylammonium, Silvex compd. with 1-amino-2-propanol, SILVEX, ISOPROPANOLAMINE SALT, 1-hydroxypropan-2-ylazanium; 2-(2,4,5-trichlorophenoxy)propanoate, 1-hydroxypropan-2-ylazanium;2-(2,4,5-trichlorophenoxy)propanoate
| Molecular Formula | C12H16Cl3NO4 |
|---|---|
| Molecular Weight | 343.01 g/mol |
| LogP | 0.77 |
| Topological Polar Surface Area | 97.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.0145 |
| Heavy Atoms | 20 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 53404-13-0 |
|---|---|
| SMILES | CC(CO)[NH3+].CC(C(=O)[O-])OC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | VHWQUDILEMEHBO-UHFFFAOYSA-N |
Product Overview
CID 40753 (CAS 53404-13-0), with molecular formula C12H16Cl3NO4 and molecular weight 343.01 g/mol. IUPAC: 1-hydroxypropan-2-ylazanium;2-(2,4,5-trichlorophenoxy)propanoate.
Chemical Property Profile of CID 40753
Property Insights of CID 40753
The XLogP value of 0.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 40753. The TPSA of 97.2 Ų falls within the moderate polarity range, balancing permeability and solubility for CID 40753. Following Lipinski's Rule of Five, CID 40753 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 CID 40753?
The CAS number of CID 40753 is 53404-13-0.
What is the molecular formula of CID 40753?
The molecular formula of CID 40753 is C12H16Cl3NO4.
What is the molecular weight of CID 40753?
The molecular weight of CID 40753 is 343.01 g/mol.
Where can I buy CID 40753?
You can request a quote for CID 40753 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 40753?
Yes, KEHONG BIO provides custom synthesis services for CID 40753 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.