RefChem:1062059
TL;DR: RefChem:1062059 (CAS 78907-15-0) is a chemical compound with molecular formula C15H23ClN2O2 and molecular weight 298.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(tert-butylamino)-1-(1H-indol-3-yl)propan-1-one;hydrate;hydrochloride
Also Known As: 3-(tert-Butylamino)propionylindole hydrochloride hydrate, 1- -2- propan-1-onehydratehydrochloride, 2-(tert-Butylamino)-1-(3-indolyl)-1-propanone hydrochloride hydrate, 1-Propanone, 2-(tert-butylamino)-1-(3-indolyl)-, monohydrochloride, monohydrate, 1-(1h-indol-3-yl)-2-(tert-butylamino)propan-1-one hydrate hydrochloride
| Molecular Formula | C15H23ClN2O2 |
|---|---|
| Molecular Weight | 298.14 g/mol |
| LogP | 2.7243 |
| Topological Polar Surface Area | 45.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.1448 |
| Heavy Atoms | 20 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 78907-15-0 |
|---|---|
| SMILES | CC(C(=O)C1=CNC2=CC=CC=C21)NC(C)(C)C.O.Cl |
| InChIKey | TZPCCCCYPIGCBQ-UHFFFAOYSA-N |
Product Overview
RefChem:1062059 (CAS 78907-15-0), with molecular formula C15H23ClN2O2 and molecular weight 298.14 g/mol. IUPAC: 2-(tert-butylamino)-1-(1H-indol-3-yl)propan-1-one;hydrate;hydrochloride.
Chemical Property Profile of RefChem:1062059
Property Insights of RefChem:1062059
The XLogP value of 2.7243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1062059. With a topological polar surface area (TPSA) of 45.9 Ų, RefChem:1062059 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1062059 has 4 hydrogen bond donor(s) and 3 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 RefChem:1062059?
The CAS number of RefChem:1062059 is 78907-15-0.
What is the molecular formula of RefChem:1062059?
The molecular formula of RefChem:1062059 is C15H23ClN2O2.
What is the molecular weight of RefChem:1062059?
The molecular weight of RefChem:1062059 is 298.14 g/mol.
Where can I buy RefChem:1062059?
You can request a quote for RefChem:1062059 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062059?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062059 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.