Bionet1_000022
TL;DR: Bionet1_000022 (CAS 444151-89-7) is a chemical compound with molecular formula C17H13Cl2F2N3O2 and molecular weight 399.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[chloro(difluoro)methyl]-2,3-dihydro-1,4-diazepin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
Also Known As: Bionet1_000022, MixCom2_000083, {5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepin-1-yl}[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]methanone, [5-[chloro(difluoro)methyl]-2,3-dihydro-1,4-diazepin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone, 5-(chlorodifluoromethyl)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-2,3-dihydro-1H-1,4-diazepine
| Molecular Formula | C17H13Cl2F2N3O2 |
|---|---|
| Molecular Weight | 399.04 g/mol |
| LogP | 4.54552 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.03528 |
| Heavy Atoms | 26 |
| Complexity | 903.6532 |
Chemical Identifiers
| CAS Number | 444151-89-7 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCN=C(C=C3)C(F)(F)Cl |
Product Overview
Bionet1_000022 (CAS 444151-89-7), with molecular formula C17H13Cl2F2N3O2 and molecular weight 399.04 g/mol. IUPAC: [5-[chloro(difluoro)methyl]-2,3-dihydro-1,4-diazepin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone.
Chemical Property Profile of Bionet1_000022
Property Insights of Bionet1_000022
The XLogP value of 4.54552 indicates that Bionet1_000022 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.7 Ų, Bionet1_000022 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_000022 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 Bionet1_000022?
The CAS number of Bionet1_000022 is 444151-89-7.
What is the molecular formula of Bionet1_000022?
The molecular formula of Bionet1_000022 is C17H13Cl2F2N3O2.
What is the molecular weight of Bionet1_000022?
The molecular weight of Bionet1_000022 is 399.04 g/mol.
Where can I buy Bionet1_000022?
You can request a quote for Bionet1_000022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000022?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.