Carbendazim/dicyclobutrazol
TL;DR: Carbendazim/dicyclobutrazol (CAS 96053-91-7) is a chemical compound with molecular formula C24H28Cl2N6O3 and molecular weight 518.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;methyl N-(1H-benzimidazol-2-yl)carbamate
Also Known As: Vigil K, Carbendazim / dicyclobutrazol, Carbendazim/dicyclobutrazol, Carbendazim mixture with dicyclobutrazol, (2R,3R)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol; methyl N-(1H-benzimidazol-2-yl)carbamate
| Molecular Formula | C24H28Cl2N6O3 |
|---|---|
| Molecular Weight | 518.16 g/mol |
| LogP | 5.5169 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.16 |
| Heavy Atoms | 35 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 96053-91-7 |
|---|---|
| SMILES | CC(C)(C)[C@H]([C@@H](CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O.COC(=O)NC1=NC2=CC=CC=C2N1 |
| InChIKey | HNHJXYPIQCBDTK-DFQHDRSWSA-N |
Product Overview
Carbendazim/dicyclobutrazol (CAS 96053-91-7), with molecular formula C24H28Cl2N6O3 and molecular weight 518.16 g/mol. IUPAC: (2R,3R)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;methyl N-(1H-benzimidazol-2-yl)carbamate.
Chemical Property Profile of Carbendazim/dicyclobutrazol
Property Insights of Carbendazim/dicyclobutrazol
The XLogP value of 5.5169 indicates that Carbendazim/dicyclobutrazol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbendazim/dicyclobutrazol. Following Lipinski's Rule of Five, Carbendazim/dicyclobutrazol has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbendazim/dicyclobutrazol?
The CAS number of Carbendazim/dicyclobutrazol is 96053-91-7.
What is the molecular formula of Carbendazim/dicyclobutrazol?
The molecular formula of Carbendazim/dicyclobutrazol is C24H28Cl2N6O3.
What is the molecular weight of Carbendazim/dicyclobutrazol?
The molecular weight of Carbendazim/dicyclobutrazol is 518.16 g/mol.
Where can I buy Carbendazim/dicyclobutrazol?
You can request a quote for Carbendazim/dicyclobutrazol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbendazim/dicyclobutrazol?
Yes, KEHONG BIO provides custom synthesis services for Carbendazim/dicyclobutrazol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.