1,1,1-Trichloro-3-nitropropan-2-yl 3,4-dichlorobenzoate
TL;DR: 1,1,1-Trichloro-3-nitropropan-2-yl 3,4-dichlorobenzoate (CAS 58102-38-8) is a chemical compound with molecular formula C10H6Cl5NO4 and molecular weight 378.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1,1-trichloro-3-nitropropan-2-yl) 3,4-dichlorobenzoate
Also Known As: KST-1B5862, 1,1,1-trichloro-3-nitropropan-2-yl 3,4-dichlorobenzoate, (1,1,1-trichloro-3-nitropropan-2-yl) 3,4-dichlorobenzoate
| Molecular Formula | C10H6Cl5NO4 |
|---|---|
| Molecular Weight | 378.87 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.87393 |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 58102-38-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)OC(C[N+](=O)[O-])C(Cl)(Cl)Cl)Cl)Cl |
| InChIKey | PKISKXZVORFKOH-UHFFFAOYSA-N |
Product Overview
1,1,1-Trichloro-3-nitropropan-2-yl 3,4-dichlorobenzoate (CAS 58102-38-8), with molecular formula C10H6Cl5NO4 and molecular weight 378.87 g/mol. IUPAC: (1,1,1-trichloro-3-nitropropan-2-yl) 3,4-dichlorobenzoate.
Chemical Property Profile of 1,1,1-Trichloro-3-nitropropan-2-yl 3,4-dichlorobenzoate
Property Insights of 1,1,1-Trichloro-3-nitropropan-2-yl 3,4-dichlorobenzoate
The XLogP value of 4.7 indicates that 1,1,1-Trichloro-3-nitropropan-2-yl 3,4-dichlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,1-Trichloro-3-nitropropan-2-yl 3,4-dichlorobenzoate. Following Lipinski's Rule of Five, 1,1,1-Trichloro-3-nitropropan-2-yl 3,4-dichlorobenzoate 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 1,1,1-Trichloro-3-nitropropan-2-yl 3,4-dichlorobenzoate?
The CAS number of 1,1,1-Trichloro-3-nitropropan-2-yl 3,4-dichlorobenzoate is 58102-38-8.
What is the molecular formula of 1,1,1-Trichloro-3-nitropropan-2-yl 3,4-dichlorobenzoate?
The molecular formula of 1,1,1-Trichloro-3-nitropropan-2-yl 3,4-dichlorobenzoate is C10H6Cl5NO4.
What is the molecular weight of 1,1,1-Trichloro-3-nitropropan-2-yl 3,4-dichlorobenzoate?
The molecular weight of 1,1,1-Trichloro-3-nitropropan-2-yl 3,4-dichlorobenzoate is 378.87 g/mol.
Where can I buy 1,1,1-Trichloro-3-nitropropan-2-yl 3,4-dichlorobenzoate?
You can request a quote for 1,1,1-Trichloro-3-nitropropan-2-yl 3,4-dichlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trichloro-3-nitropropan-2-yl 3,4-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trichloro-3-nitropropan-2-yl 3,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.