2-Benzoxazolemethanol, alpha-(2,6-dichlorophenyl)-, methylcarbamate (ester)
TL;DR: 2-Benzoxazolemethanol, alpha-(2,6-dichlorophenyl)-, methylcarbamate (ester) (CAS 104030-11-7) is a chemical compound with molecular formula C16H12Cl2N2O3 and molecular weight 350.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,3-benzoxazol-2-yl-(2,6-dichlorophenyl)methyl] N-methylcarbamate
Also Known As: 2-Methoxy-ethyl-quecksilberiodid, KST-1A9885, 1,3-benzoxazol-2-yl(2,6-dichlorophenyl)methyl methylcarbamate, 2-Benzoxazolemethanol, alpha-(2,6-dichlorophenyl)-, methylcarbamate (ester), [1,3-benzoxazol-2-yl-(2,6-dichlorophenyl)methyl] N-methylcarbamate
| Molecular Formula | C16H12Cl2N2O3 |
|---|---|
| Molecular Weight | 350.02 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.0225 |
| Heavy Atoms | 23 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 104030-11-7 |
|---|---|
| SMILES | CNC(=O)OC(C1=C(C=CC=C1Cl)Cl)C2=NC3=CC=CC=C3O2 |
| InChIKey | GGXFZNILQVTYNC-UHFFFAOYSA-N |
Product Overview
2-Benzoxazolemethanol, alpha-(2,6-dichlorophenyl)-, methylcarbamate (ester) (CAS 104030-11-7), with molecular formula C16H12Cl2N2O3 and molecular weight 350.02 g/mol. IUPAC: [1,3-benzoxazol-2-yl-(2,6-dichlorophenyl)methyl] N-methylcarbamate.
Chemical Property Profile of 2-Benzoxazolemethanol, alpha-(2,6-dichlorophenyl)-, methylcarbamate (ester)
Property Insights of 2-Benzoxazolemethanol, alpha-(2,6-dichlorophenyl)-, methylcarbamate (ester)
The XLogP value of 4.3 indicates that 2-Benzoxazolemethanol, alpha-(2,6-dichlorophenyl)-, methylcarbamate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzoxazolemethanol, alpha-(2,6-dichlorophenyl)-, methylcarbamate (ester). Following Lipinski's Rule of Five, 2-Benzoxazolemethanol, alpha-(2,6-dichlorophenyl)-, methylcarbamate (ester) has 1 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 2-Benzoxazolemethanol, alpha-(2,6-dichlorophenyl)-, methylcarbamate (ester)?
The CAS number of 2-Benzoxazolemethanol, alpha-(2,6-dichlorophenyl)-, methylcarbamate (ester) is 104030-11-7.
What is the molecular formula of 2-Benzoxazolemethanol, alpha-(2,6-dichlorophenyl)-, methylcarbamate (ester)?
The molecular formula of 2-Benzoxazolemethanol, alpha-(2,6-dichlorophenyl)-, methylcarbamate (ester) is C16H12Cl2N2O3.
What is the molecular weight of 2-Benzoxazolemethanol, alpha-(2,6-dichlorophenyl)-, methylcarbamate (ester)?
The molecular weight of 2-Benzoxazolemethanol, alpha-(2,6-dichlorophenyl)-, methylcarbamate (ester) is 350.02 g/mol.
Where can I buy 2-Benzoxazolemethanol, alpha-(2,6-dichlorophenyl)-, methylcarbamate (ester)?
You can request a quote for 2-Benzoxazolemethanol, alpha-(2,6-dichlorophenyl)-, methylcarbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoxazolemethanol, alpha-(2,6-dichlorophenyl)-, methylcarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoxazolemethanol, alpha-(2,6-dichlorophenyl)-, methylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.