3-Carbethoxyamino-5-(beta-oxyethylaminopropionyl)-10,11-dihydro-5H-dibenz(b,f)azepine HCl
TL;DR: 3-Carbethoxyamino-5-(beta-oxyethylaminopropionyl)-10,11-dihydro-5H-dibenz(b,f)azepine HCl (CAS 134068-46-5) is a chemical compound with molecular formula C22H28ClN3O4 and molecular weight 433.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[11-[3-(2-hydroxyethylamino)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride
Also Known As: 3-Carbethoxyamino-5-(beta-oxyethylaminopropionyl)-10,11-dihydro-5H-dibenz(b,f)azepine HCl, Carbamic acid, (10,11-dihydro-5-(3-((2-hydroxyethyl)amino)-1-oxopropyl)-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride, ethyl N-[11-[3-(2-hydroxyethylamino)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride, ethyl N-[11-[3-(2-hydroxyethylamino)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate hydrochloride, Ethyl {5-[N-(2-hydroxyethyl)-beta-alanyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate--hydrogen chloride (1/1)
| Molecular Formula | C22H28ClN3O4 |
|---|---|
| Molecular Weight | 433.18 g/mol |
| LogP | 3.4121 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.17682 |
| Heavy Atoms | 30 |
| Complexity | 875.2112 |
Chemical Identifiers
| CAS Number | 134068-46-5 |
|---|---|
| SMILES | CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCNCCO)C=C1.Cl |
Product Overview
3-Carbethoxyamino-5-(beta-oxyethylaminopropionyl)-10,11-dihydro-5H-dibenz(b,f)azepine HCl (CAS 134068-46-5), with molecular formula C22H28ClN3O4 and molecular weight 433.18 g/mol. IUPAC: ethyl N-[11-[3-(2-hydroxyethylamino)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride.
Chemical Property Profile of 3-Carbethoxyamino-5-(beta-oxyethylaminopropionyl)-10,11-dihydro-5H-dibenz(b,f)azepine HCl
Property Insights of 3-Carbethoxyamino-5-(beta-oxyethylaminopropionyl)-10,11-dihydro-5H-dibenz(b,f)azepine HCl
The XLogP value of 3.4121 indicates that 3-Carbethoxyamino-5-(beta-oxyethylaminopropionyl)-10,11-dihydro-5H-dibenz(b,f)azepine HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carbethoxyamino-5-(beta-oxyethylaminopropionyl)-10,11-dihydro-5H-dibenz(b,f)azepine HCl. Following Lipinski's Rule of Five, 3-Carbethoxyamino-5-(beta-oxyethylaminopropionyl)-10,11-dihydro-5H-dibenz(b,f)azepine HCl has 3 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 3-Carbethoxyamino-5-(beta-oxyethylaminopropionyl)-10,11-dihydro-5H-dibenz(b,f)azepine HCl?
The CAS number of 3-Carbethoxyamino-5-(beta-oxyethylaminopropionyl)-10,11-dihydro-5H-dibenz(b,f)azepine HCl is 134068-46-5.
What is the molecular formula of 3-Carbethoxyamino-5-(beta-oxyethylaminopropionyl)-10,11-dihydro-5H-dibenz(b,f)azepine HCl?
The molecular formula of 3-Carbethoxyamino-5-(beta-oxyethylaminopropionyl)-10,11-dihydro-5H-dibenz(b,f)azepine HCl is C22H28ClN3O4.
What is the molecular weight of 3-Carbethoxyamino-5-(beta-oxyethylaminopropionyl)-10,11-dihydro-5H-dibenz(b,f)azepine HCl?
The molecular weight of 3-Carbethoxyamino-5-(beta-oxyethylaminopropionyl)-10,11-dihydro-5H-dibenz(b,f)azepine HCl is 433.18 g/mol.
Where can I buy 3-Carbethoxyamino-5-(beta-oxyethylaminopropionyl)-10,11-dihydro-5H-dibenz(b,f)azepine HCl?
You can request a quote for 3-Carbethoxyamino-5-(beta-oxyethylaminopropionyl)-10,11-dihydro-5H-dibenz(b,f)azepine HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carbethoxyamino-5-(beta-oxyethylaminopropionyl)-10,11-dihydro-5H-dibenz(b,f)azepine HCl?
Yes, KEHONG BIO provides custom synthesis services for 3-Carbethoxyamino-5-(beta-oxyethylaminopropionyl)-10,11-dihydro-5H-dibenz(b,f)azepine HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.