![isopropyl (5-(3-(dimethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride hydrate structure](/static/products/108/1082741-75-0.png)
isopropyl (5-(3-(dimethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride hydrate
TL;DR: isopropyl (5-(3-(dimethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride hydrate (CAS 1082741-75-0) is a chemical compound with molecular formula C23H32ClN3O4 and molecular weight 449.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-[11-[3-(dimethylamino)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrate;hydrochloride
Also Known As: isopropyl (5-(3-(dimethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride hydrate, propan-2-yl N-[11-[3-(dimethylamino)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate hydrate hydrochloride
| Molecular Formula | C23H32ClN3O4 |
|---|---|
| Molecular Weight | 449.21 g/mol |
| LogP | 3.9556 |
| Topological Polar Surface Area | 93.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.20813 |
| Heavy Atoms | 31 |
| Complexity | 902.1404 |
Chemical Identifiers
| CAS Number | 1082741-75-0 |
|---|---|
| SMILES | CC(C)OC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCN(C)C)C=C1.O.Cl |
Product Overview
isopropyl (5-(3-(dimethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride hydrate (CAS 1082741-75-0), with molecular formula C23H32ClN3O4 and molecular weight 449.21 g/mol. IUPAC: propan-2-yl N-[11-[3-(dimethylamino)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrate;hydrochloride.
Chemical Property Profile of isopropyl (5-(3-(dimethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride hydrate
Property Insights of isopropyl (5-(3-(dimethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride hydrate
The XLogP value of 3.9556 indicates that isopropyl (5-(3-(dimethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.38 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl (5-(3-(dimethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride hydrate. Following Lipinski's Rule of Five, isopropyl (5-(3-(dimethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride hydrate has 1 hydrogen bond donor(s) and 4 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 isopropyl (5-(3-(dimethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride hydrate?
The CAS number of isopropyl (5-(3-(dimethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride hydrate is 1082741-75-0.
What is the molecular formula of isopropyl (5-(3-(dimethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride hydrate?
The molecular formula of isopropyl (5-(3-(dimethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride hydrate is C23H32ClN3O4.
What is the molecular weight of isopropyl (5-(3-(dimethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride hydrate?
The molecular weight of isopropyl (5-(3-(dimethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride hydrate is 449.21 g/mol.
Where can I buy isopropyl (5-(3-(dimethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride hydrate?
You can request a quote for isopropyl (5-(3-(dimethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride 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-(dimethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride hydrate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl (5-(3-(dimethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.