![isopropyl (5-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate structure](/static/products/104/1049732-16-2.png)
isopropyl (5-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate
TL;DR: isopropyl (5-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate (CAS 1049732-16-2) is a chemical compound with molecular formula C27H40Cl2N4O5 and molecular weight 570.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-[11-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrate;dihydrochloride
Also Known As: isopropyl (5-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate, propan-2-yl N-[11-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate hydrate dihydrochloride
| Molecular Formula | C27H40Cl2N4O5 |
|---|---|
| Molecular Weight | 570.24 g/mol |
| LogP | 3.4257 |
| Topological Polar Surface Area | 116.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 570.23755 |
| Heavy Atoms | 38 |
| Complexity | 1047.878 |
Chemical Identifiers
| CAS Number | 1049732-16-2 |
|---|---|
| SMILES | CC(C)OC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCN4CCN(CC4)CCO)C=C1.O.Cl.Cl |
Product Overview
isopropyl (5-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate (CAS 1049732-16-2), with molecular formula C27H40Cl2N4O5 and molecular weight 570.24 g/mol. IUPAC: propan-2-yl N-[11-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrate;dihydrochloride.
Chemical Property Profile of isopropyl (5-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate
Property Insights of isopropyl (5-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate
The XLogP value of 3.4257 indicates that isopropyl (5-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.85 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl (5-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate. Following Lipinski's Rule of Five, isopropyl (5-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate has 2 hydrogen bond donor(s) and 6 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-(4-(2-hydroxyethyl)piperazin-1-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate?
The CAS number of isopropyl (5-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate is 1049732-16-2.
What is the molecular formula of isopropyl (5-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate?
The molecular formula of isopropyl (5-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate is C27H40Cl2N4O5.
What is the molecular weight of isopropyl (5-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate?
The molecular weight of isopropyl (5-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate is 570.24 g/mol.
Where can I buy isopropyl (5-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate?
You can request a quote for isopropyl (5-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate 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-(4-(2-hydroxyethyl)piperazin-1-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl (5-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.