氯吡嘧磺隆
TL;DR: 氯吡嘧磺隆 (CAS 135397-30-7) is a chemical compound with molecular formula C12H13ClN6O7S and molecular weight 420.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯吡嘧磺隆
3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylic acid
Also Known As: Halosulfuron, Halosulfuron-methyl, Halosulfuron Acid, Halosulfuron [ISO:BSI], HALOSULFURON [ISO]
| Molecular Formula | C12H13ClN6O7S |
|---|---|
| Molecular Weight | 420.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.02548 |
| Heavy Atoms | 27 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 135397-30-7 |
|---|---|
| SMILES | CN1C(=C(C(=N1)Cl)C(=O)O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC |
| InChIKey | LXKOADMMGWXPJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯吡嘧磺隆 (CAS 135397-30-7), with molecular formula C12H13ClN6O7S and molecular weight 420.03 g/mol. IUPAC: 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylic acid.
Chemical Property Profile of 氯吡嘧磺隆
Property Insights of 氯吡嘧磺隆
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯吡嘧磺隆. The TPSA of 183.0 Ų indicates high polarity, suggesting 氯吡嘧磺隆 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 氯吡嘧磺隆 has 3 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 氯吡嘧磺隆?
The CAS number of 氯吡嘧磺隆 is 135397-30-7.
What is the molecular formula of 氯吡嘧磺隆?
The molecular formula of 氯吡嘧磺隆 is C12H13ClN6O7S.
What is the molecular weight of 氯吡嘧磺隆?
The molecular weight of 氯吡嘧磺隆 is 420.03 g/mol.
Where can I buy 氯吡嘧磺隆?
You can request a quote for 氯吡嘧磺隆 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯吡嘧磺隆?
Yes, KEHONG BIO provides custom synthesis services for 氯吡嘧磺隆 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.