D101-0068
TL;DR: D101-0068 (CAS 891029-19-9) is a chemical compound with molecular formula C20H20ClN3O2 and molecular weight 369.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-N-propan-2-ylbenzamide
Also Known As: D101-0068, N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-N-propan-2-ylbenzamide, N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-N-(propan-2-yl)benzamide
| Molecular Formula | C20H20ClN3O2 |
|---|---|
| Molecular Weight | 369.12 g/mol |
| LogP | 4.74922 |
| Topological Polar Surface Area | 59.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.1244 |
| Heavy Atoms | 26 |
| Complexity | 903.42957 |
Chemical Identifiers
| CAS Number | 891029-19-9 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)N(CC2=NC(=NO2)C3=CC=C(C=C3)Cl)C(C)C |
Product Overview
D101-0068 (CAS 891029-19-9), with molecular formula C20H20ClN3O2 and molecular weight 369.12 g/mol. IUPAC: N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-N-propan-2-ylbenzamide.
Chemical Property Profile of D101-0068
Property Insights of D101-0068
The XLogP value of 4.74922 indicates that D101-0068 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.23 Ų, D101-0068 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, D101-0068 has 0 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 D101-0068?
The CAS number of D101-0068 is 891029-19-9.
What is the molecular formula of D101-0068?
The molecular formula of D101-0068 is C20H20ClN3O2.
What is the molecular weight of D101-0068?
The molecular weight of D101-0068 is 369.12 g/mol.
Where can I buy D101-0068?
You can request a quote for D101-0068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D101-0068?
Yes, KEHONG BIO provides custom synthesis services for D101-0068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.