氯酯磺草胺
TL;DR: 氯酯磺草胺 (CAS 147150-35-4) is a chemical compound with molecular formula C15H13ClFN5O5S and molecular weight 429.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯酯磺草胺
methyl 3-chloro-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]benzoate
Also Known As: Cloransulam-methyl, First Rate, Gangstar, Amplify, Cloransulam - methyl
| Molecular Formula | C15H13ClFN5O5S |
|---|---|
| Molecular Weight | 429.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.031 |
| Heavy Atoms | 28 |
| Complexity | 668.0 |
| Melting Point | 216-218 °C |
| Density | 1.538 at 20 °C |
| Solubility | In water, 3 ppm (pH 5),184 ppm (pH 7) at 25 °C |
| Vapor Pressure | 3.0X10-16 mm Hg (4.0X10-11 mPa) at 25 °C |
Chemical Identifiers
| CAS Number | 147150-35-4 |
|---|---|
| SMILES | CCOC1=NC(=CC2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3Cl)C(=O)OC)F |
| InChIKey | BIKACRYIQSLICJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯酯磺草胺 (CAS 147150-35-4), with molecular formula C15H13ClFN5O5S and molecular weight 429.03 g/mol. IUPAC: methyl 3-chloro-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]benzoate.
Chemical Property Profile of 氯酯磺草胺
Property Insights of 氯酯磺草胺
The XLogP value of 3.1 indicates that 氯酯磺草胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 氯酯磺草胺. Following Lipinski's Rule of Five, 氯酯磺草胺 has 1 hydrogen bond donor(s) and 10 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 氯酯磺草胺?
The CAS number of 氯酯磺草胺 is 147150-35-4.
What is the molecular formula of 氯酯磺草胺?
The molecular formula of 氯酯磺草胺 is C15H13ClFN5O5S.
What is the molecular weight of 氯酯磺草胺?
The molecular weight of 氯酯磺草胺 is 429.03 g/mol.
Where can I buy 氯酯磺草胺?
You can request a quote for 氯酯磺草胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯酯磺草胺?
Yes, KEHONG BIO provides custom synthesis services for 氯酯磺草胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.