Apron-captan mixt.
TL;DR: Apron-captan mixt. (CAS 82209-00-5) is a chemical compound with molecular formula C24H29Cl3N2O6S and molecular weight 578.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate;2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: Apron-captan mixt., Apron 70, Captan - metalaxyl mixt., SL 233, Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester, mixt. with 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C24H29Cl3N2O6S |
|---|---|
| Molecular Weight | 578.08 g/mol |
| LogP | 4.75784 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 578.0812 |
| Heavy Atoms | 36 |
| Complexity | 675.0 |
Chemical Identifiers
| CAS Number | 82209-00-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N([C@@H](C)C(=O)OC)C(=O)COC.C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl |
| InChIKey | RSZVKQDECFHDQJ-YDALLXLXSA-N |
Product Overview
Apron-captan mixt. (CAS 82209-00-5), with molecular formula C24H29Cl3N2O6S and molecular weight 578.08 g/mol. IUPAC: methyl (2S)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate;2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of Apron-captan mixt.
Property Insights of Apron-captan mixt.
The XLogP value of 4.75784 indicates that Apron-captan mixt. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Apron-captan mixt.. Following Lipinski's Rule of Five, Apron-captan mixt. has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Apron-captan mixt.?
The CAS number of Apron-captan mixt. is 82209-00-5.
What is the molecular formula of Apron-captan mixt.?
The molecular formula of Apron-captan mixt. is C24H29Cl3N2O6S.
What is the molecular weight of Apron-captan mixt.?
The molecular weight of Apron-captan mixt. is 578.08 g/mol.
Where can I buy Apron-captan mixt.?
You can request a quote for Apron-captan mixt. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Apron-captan mixt.?
Yes, KEHONG BIO provides custom synthesis services for Apron-captan mixt. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.