![isopropyl (5-(3-(diethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride structure](/static/products/788/78816-63-4.png)
isopropyl (5-(3-(diethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride
TL;DR: isopropyl (5-(3-(diethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride (CAS 78816-63-4) is a chemical compound with molecular formula C25H34ClN3O3 and molecular weight 459.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-[11-[3-(diethylamino)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride
Also Known As: isopropyl (5-(3-(diethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride, propan-2-yl N-[11-[3-(diethylamino)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate hydrochloride
| Molecular Formula | C25H34ClN3O3 |
|---|---|
| Molecular Weight | 459.23 g/mol |
| LogP | 5.5605 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.22888 |
| Heavy Atoms | 32 |
| Complexity | 928.3982 |
Chemical Identifiers
| CAS Number | 78816-63-4 |
|---|---|
| SMILES | CCN(CC)CCC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)OC(C)C.Cl |
Product Overview
isopropyl (5-(3-(diethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride (CAS 78816-63-4), with molecular formula C25H34ClN3O3 and molecular weight 459.23 g/mol. IUPAC: propan-2-yl N-[11-[3-(diethylamino)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride.
Chemical Property Profile of isopropyl (5-(3-(diethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride
Property Insights of isopropyl (5-(3-(diethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride
The XLogP value of 5.5605 indicates that isopropyl (5-(3-(diethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl (5-(3-(diethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride. Following Lipinski's Rule of Five, isopropyl (5-(3-(diethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of isopropyl (5-(3-(diethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride?
The CAS number of isopropyl (5-(3-(diethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride is 78816-63-4.
What is the molecular formula of isopropyl (5-(3-(diethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride?
The molecular formula of isopropyl (5-(3-(diethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride is C25H34ClN3O3.
What is the molecular weight of isopropyl (5-(3-(diethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride?
The molecular weight of isopropyl (5-(3-(diethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride is 459.23 g/mol.
Where can I buy isopropyl (5-(3-(diethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride?
You can request a quote for isopropyl (5-(3-(diethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl (5-(3-(diethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for isopropyl (5-(3-(diethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.