(1,3-Benzoxazol-2-yl)(2-chloro-6-fluorophenyl)methyl N-butylcarbamate
TL;DR: (1,3-Benzoxazol-2-yl)(2-chloro-6-fluorophenyl)methyl N-butylcarbamate (CAS 112953-10-3) is a chemical compound with molecular formula C19H18ClFN2O3 and molecular weight 376.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,3-benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl] N-butylcarbamate
Also Known As: 4-Pro-7-OH-pro-avp, 4-Pro-7-hydroxy-pro-argipressin, KST-1A9867, Argipressin, pro(4)-hydroxy-pro(7)-, Argipressin, prolyl(4)-hydroxyproline(7)-
| Molecular Formula | C19H18ClFN2O3 |
|---|---|
| Molecular Weight | 376.10 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.099 |
| Heavy Atoms | 26 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 112953-10-3 |
|---|---|
| SMILES | CCCCNC(=O)OC(C1=C(C=CC=C1Cl)F)C2=NC3=CC=CC=C3O2 |
| InChIKey | IGAFXBFJUFBXHM-UHFFFAOYSA-N |
Product Overview
(1,3-Benzoxazol-2-yl)(2-chloro-6-fluorophenyl)methyl N-butylcarbamate (CAS 112953-10-3), with molecular formula C19H18ClFN2O3 and molecular weight 376.10 g/mol. IUPAC: [1,3-benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl] N-butylcarbamate.
Chemical Property Profile of (1,3-Benzoxazol-2-yl)(2-chloro-6-fluorophenyl)methyl N-butylcarbamate
Property Insights of (1,3-Benzoxazol-2-yl)(2-chloro-6-fluorophenyl)methyl N-butylcarbamate
The XLogP value of 5.0 indicates that (1,3-Benzoxazol-2-yl)(2-chloro-6-fluorophenyl)methyl N-butylcarbamate 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 (1,3-Benzoxazol-2-yl)(2-chloro-6-fluorophenyl)methyl N-butylcarbamate. Following Lipinski's Rule of Five, (1,3-Benzoxazol-2-yl)(2-chloro-6-fluorophenyl)methyl N-butylcarbamate has 1 hydrogen bond donor(s) and 5 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 (1,3-Benzoxazol-2-yl)(2-chloro-6-fluorophenyl)methyl N-butylcarbamate?
The CAS number of (1,3-Benzoxazol-2-yl)(2-chloro-6-fluorophenyl)methyl N-butylcarbamate is 112953-10-3.
What is the molecular formula of (1,3-Benzoxazol-2-yl)(2-chloro-6-fluorophenyl)methyl N-butylcarbamate?
The molecular formula of (1,3-Benzoxazol-2-yl)(2-chloro-6-fluorophenyl)methyl N-butylcarbamate is C19H18ClFN2O3.
What is the molecular weight of (1,3-Benzoxazol-2-yl)(2-chloro-6-fluorophenyl)methyl N-butylcarbamate?
The molecular weight of (1,3-Benzoxazol-2-yl)(2-chloro-6-fluorophenyl)methyl N-butylcarbamate is 376.10 g/mol.
Where can I buy (1,3-Benzoxazol-2-yl)(2-chloro-6-fluorophenyl)methyl N-butylcarbamate?
You can request a quote for (1,3-Benzoxazol-2-yl)(2-chloro-6-fluorophenyl)methyl N-butylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-Benzoxazol-2-yl)(2-chloro-6-fluorophenyl)methyl N-butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Benzoxazol-2-yl)(2-chloro-6-fluorophenyl)methyl N-butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.