3-Chloro-7-dimethoxythiophosphoryloxy-4-methyl courmain
TL;DR: 3-Chloro-7-dimethoxythiophosphoryloxy-4-methyl courmain (CAS 5826-75-5) is a chemical compound with molecular formula C12H12ClO5PS and molecular weight 333.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-7-dimethoxyphosphinothioyloxy-4-methylchromen-2-one
Also Known As: Bayer-21/200, BAY-21/200, 3-CHLORO-7-DIMETHOXYTHIOPHOSPHORYLOXY-4-METHYL COURMAIN, B-21200, 3-chloro-7-dimethoxythiophosphoryloxy-4-methyl-coumarin
| Molecular Formula | C12H12ClO5PS |
|---|---|
| Molecular Weight | 333.98 g/mol |
| LogP | 3.65092 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.98315 |
| Heavy Atoms | 20 |
| Complexity | 749.3315 |
Chemical Identifiers
| CAS Number | 5826-75-5 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OP(=S)(OC)OC)Cl |
Product Overview
3-Chloro-7-dimethoxythiophosphoryloxy-4-methyl courmain (CAS 5826-75-5), with molecular formula C12H12ClO5PS and molecular weight 333.98 g/mol. IUPAC: 3-chloro-7-dimethoxyphosphinothioyloxy-4-methylchromen-2-one.
Chemical Property Profile of 3-Chloro-7-dimethoxythiophosphoryloxy-4-methyl courmain
Property Insights of 3-Chloro-7-dimethoxythiophosphoryloxy-4-methyl courmain
The XLogP value of 3.65092 indicates that 3-Chloro-7-dimethoxythiophosphoryloxy-4-methyl courmain is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, 3-Chloro-7-dimethoxythiophosphoryloxy-4-methyl courmain exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-7-dimethoxythiophosphoryloxy-4-methyl courmain 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 3-Chloro-7-dimethoxythiophosphoryloxy-4-methyl courmain?
The CAS number of 3-Chloro-7-dimethoxythiophosphoryloxy-4-methyl courmain is 5826-75-5.
What is the molecular formula of 3-Chloro-7-dimethoxythiophosphoryloxy-4-methyl courmain?
The molecular formula of 3-Chloro-7-dimethoxythiophosphoryloxy-4-methyl courmain is C12H12ClO5PS.
What is the molecular weight of 3-Chloro-7-dimethoxythiophosphoryloxy-4-methyl courmain?
The molecular weight of 3-Chloro-7-dimethoxythiophosphoryloxy-4-methyl courmain is 333.98 g/mol.
Where can I buy 3-Chloro-7-dimethoxythiophosphoryloxy-4-methyl courmain?
You can request a quote for 3-Chloro-7-dimethoxythiophosphoryloxy-4-methyl courmain directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-7-dimethoxythiophosphoryloxy-4-methyl courmain?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-7-dimethoxythiophosphoryloxy-4-methyl courmain and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.