苯菌灵
TL;DR: 苯菌灵 (CAS 17804-35-2) is a chemical compound with molecular formula C14H18N4O3 and molecular weight 290.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯菌灵
methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate
Also Known As: BENOMYL, Benlate, Fundazol, Uzgen, Fungochrom
| Molecular Formula | C14H18N4O3 |
|---|---|
| Molecular Weight | 290.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.13788 |
| Heavy Atoms | 21 |
| Complexity | 377.0 |
| Melting Point | Decomposes before melting |
| Boiling Point | Decomposes |
| Density | 0.38 g/cm³ |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Vapor Pressure | Negligible |
Chemical Identifiers
| CAS Number | 17804-35-2 |
|---|---|
| SMILES | CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC |
| InChIKey | RIOXQFHNBCKOKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯菌灵 (CAS 17804-35-2), with molecular formula C14H18N4O3 and molecular weight 290.14 g/mol. IUPAC: methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate.
Chemical Property Profile of 苯菌灵
Property Insights of 苯菌灵
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯菌灵. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯菌灵. Following Lipinski's Rule of Five, 苯菌灵 has 2 hydrogen bond donor(s) and 4 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 苯菌灵?
The CAS number of 苯菌灵 is 17804-35-2.
What is the molecular formula of 苯菌灵?
The molecular formula of 苯菌灵 is C14H18N4O3.
What is the molecular weight of 苯菌灵?
The molecular weight of 苯菌灵 is 290.14 g/mol.
Where can I buy 苯菌灵?
You can request a quote for 苯菌灵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯菌灵?
Yes, KEHONG BIO provides custom synthesis services for 苯菌灵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.