N-(4,5-二氢-2-噁唑基)-1H-吲哚-3-乙胺
TL;DR: N-(4,5-二氢-2-噁唑基)-1H-吲哚-3-乙胺 (CAS 101832-11-5) is a chemical compound with molecular formula C13H15N3O and molecular weight 229.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,5-二氢-2-噁唑基)-1H-吲哚-3-乙胺
N-[2-(1H-indol-3-yl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
Also Known As: INDOLE, 3-(2-(2-OXAZOLINYLAMINO)ETHYL)-, 2-(2-Indol-3-ylethylamino)-2-oxazoline, 2-Oxazoline, 2-(2-indol-3-ylethylamino)-, N-(4,5-Dihydro-2-oxazolyl)-1H-indole-3-ethanamine, N-[2-(1H-indol-3-yl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
| Molecular Formula | C13H15N3O |
|---|---|
| Molecular Weight | 229.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.1215 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 101832-11-5 |
|---|---|
| SMILES | C1COC(=N1)NCCC2=CNC3=CC=CC=C32 |
| InChIKey | DEXLCCIGUZZZSA-UHFFFAOYSA-N |
Product Overview
N-(4,5-二氢-2-噁唑基)-1H-吲哚-3-乙胺 (CAS 101832-11-5), with molecular formula C13H15N3O and molecular weight 229.12 g/mol. IUPAC: N-[2-(1H-indol-3-yl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.
Chemical Property Profile of N-(4,5-二氢-2-噁唑基)-1H-吲哚-3-乙胺
Property Insights of N-(4,5-二氢-2-噁唑基)-1H-吲哚-3-乙胺
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4,5-二氢-2-噁唑基)-1H-吲哚-3-乙胺. With a topological polar surface area (TPSA) of 49.4 Ų, N-(4,5-二氢-2-噁唑基)-1H-吲哚-3-乙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4,5-二氢-2-噁唑基)-1H-吲哚-3-乙胺 has 2 hydrogen bond donor(s) and 2 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 N-(4,5-二氢-2-噁唑基)-1H-吲哚-3-乙胺?
The CAS number of N-(4,5-二氢-2-噁唑基)-1H-吲哚-3-乙胺 is 101832-11-5.
What is the molecular formula of N-(4,5-二氢-2-噁唑基)-1H-吲哚-3-乙胺?
The molecular formula of N-(4,5-二氢-2-噁唑基)-1H-吲哚-3-乙胺 is C13H15N3O.
What is the molecular weight of N-(4,5-二氢-2-噁唑基)-1H-吲哚-3-乙胺?
The molecular weight of N-(4,5-二氢-2-噁唑基)-1H-吲哚-3-乙胺 is 229.12 g/mol.
Where can I buy N-(4,5-二氢-2-噁唑基)-1H-吲哚-3-乙胺?
You can request a quote for N-(4,5-二氢-2-噁唑基)-1H-吲哚-3-乙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4,5-二氢-2-噁唑基)-1H-吲哚-3-乙胺?
Yes, KEHONG BIO provides custom synthesis services for N-(4,5-二氢-2-噁唑基)-1H-吲哚-3-乙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.