RefChem:350500
TL;DR: RefChem:350500 (CAS 29456-76-6) is a chemical compound with molecular formula C20H25ClN2O and molecular weight 344.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]azanium chloride
Also Known As: Ketone, tert-butylaminoacetyl (10,11-dihydro-5H-dibenz(b,f)azepin-5-yl), hydrochloride, 5H-Dibenz(b,f)azepine, 10,11-dihydro-5-(tert-butylaminoacetyl)-, hydrochloride, 5H-Dibenz(b,f)azepine, 5-(tert-butylaminoacetyl)-10,11-dihydro-, hydrochloride, 5H-Dibenz[b,f]azepine, 5-(N-tert-butylglycyl)-10,11-dihydro-, monohydrochloride, tert-butyl-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]azanium chloride
| Molecular Formula | C20H25ClN2O |
|---|---|
| Molecular Weight | 344.17 g/mol |
| LogP | -0.18 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.16553 |
| Heavy Atoms | 24 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 29456-76-6 |
|---|---|
| SMILES | CC(C)(C)[NH2+]CC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31.[Cl-] |
| InChIKey | YDUVNCVFHOFCBV-UHFFFAOYSA-N |
Product Overview
RefChem:350500 (CAS 29456-76-6), with molecular formula C20H25ClN2O and molecular weight 344.17 g/mol. IUPAC: tert-butyl-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]azanium chloride.
Chemical Property Profile of RefChem:350500
Property Insights of RefChem:350500
The XLogP value of -0.18 indicates that RefChem:350500 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.9 Ų, RefChem:350500 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:350500 has 1 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 RefChem:350500?
The CAS number of RefChem:350500 is 29456-76-6.
What is the molecular formula of RefChem:350500?
The molecular formula of RefChem:350500 is C20H25ClN2O.
What is the molecular weight of RefChem:350500?
The molecular weight of RefChem:350500 is 344.17 g/mol.
Where can I buy RefChem:350500?
You can request a quote for RefChem:350500 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:350500?
Yes, KEHONG BIO provides custom synthesis services for RefChem:350500 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.