![1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one structure](/static/products/885/885461-53-0.png)
1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
TL;DR: 1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one (CAS 885461-53-0) is a chemical compound with molecular formula C17H18ClN3O2 and molecular weight 331.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
Also Known As: 1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one, (3E)-1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)acetone, (E)-1-(5-(Chloromethyl)-1,2,4-oxadiazol-3-yl)-3-(1,3,3-trimethylindolin-2-ylidene)propan-2-one, 1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]propan-2-one
| Molecular Formula | C17H18ClN3O2 |
|---|---|
| Molecular Weight | 331.11 g/mol |
| LogP | 3.2315 |
| Topological Polar Surface Area | 59.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.10876 |
| Heavy Atoms | 23 |
| Complexity | 779.6506 |
Chemical Identifiers
| CAS Number | 885461-53-0 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2N(C1=CC(=O)CC3=NOC(=N3)CCl)C)C |
Product Overview
1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one (CAS 885461-53-0), with molecular formula C17H18ClN3O2 and molecular weight 331.11 g/mol. IUPAC: 1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one.
Chemical Property Profile of 1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
Property Insights of 1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
The XLogP value of 3.2315 indicates that 1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.23 Ų, 1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one has 0 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-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
The CAS number of 1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one is 885461-53-0.
What is the molecular formula of 1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
The molecular formula of 1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one is C17H18ClN3O2.
What is the molecular weight of 1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
The molecular weight of 1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one is 331.11 g/mol.
Where can I buy 1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
You can request a quote for 1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.