Carbamic acid, (5-(3-(diethylamino)-1-oxopropyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride
TL;DR: Carbamic acid, (5-(3-(diethylamino)-1-oxopropyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride (CAS 78816-48-5) is a chemical compound with molecular formula C24H32ClN3O3 and molecular weight 445.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[11-[3-(diethylamino)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride
Also Known As: Carbamic acid, (5-(3-(diethylamino)-1-oxopropyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride, ethyl (5-(3-(diethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride, ethyl [5-(N,N-diethyl-beta-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate hydrochloride, Ethyl [5-(N,N-diethyl-beta-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate--hydrogen chloride (1/1), ethyl N-[11-[3-(diethylamino)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate hydrochloride
| Molecular Formula | C24H32ClN3O3 |
|---|---|
| Molecular Weight | 445.21 g/mol |
| LogP | 5.172 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.21323 |
| Heavy Atoms | 31 |
| Complexity | 899.3883 |
Chemical Identifiers
| CAS Number | 78816-48-5 |
|---|---|
| SMILES | CCN(CC)CCC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)OCC.Cl |
Product Overview
Carbamic acid, (5-(3-(diethylamino)-1-oxopropyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride (CAS 78816-48-5), with molecular formula C24H32ClN3O3 and molecular weight 445.21 g/mol. IUPAC: ethyl N-[11-[3-(diethylamino)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride.
Chemical Property Profile of Carbamic acid, (5-(3-(diethylamino)-1-oxopropyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride
Property Insights of Carbamic acid, (5-(3-(diethylamino)-1-oxopropyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride
The XLogP value of 5.172 indicates that Carbamic acid, (5-(3-(diethylamino)-1-oxopropyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride 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 Carbamic acid, (5-(3-(diethylamino)-1-oxopropyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride. Following Lipinski's Rule of Five, Carbamic acid, (5-(3-(diethylamino)-1-oxopropyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride 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 Carbamic acid, (5-(3-(diethylamino)-1-oxopropyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride?
The CAS number of Carbamic acid, (5-(3-(diethylamino)-1-oxopropyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride is 78816-48-5.
What is the molecular formula of Carbamic acid, (5-(3-(diethylamino)-1-oxopropyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride?
The molecular formula of Carbamic acid, (5-(3-(diethylamino)-1-oxopropyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride is C24H32ClN3O3.
What is the molecular weight of Carbamic acid, (5-(3-(diethylamino)-1-oxopropyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride?
The molecular weight of Carbamic acid, (5-(3-(diethylamino)-1-oxopropyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride is 445.21 g/mol.
Where can I buy Carbamic acid, (5-(3-(diethylamino)-1-oxopropyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride?
You can request a quote for Carbamic acid, (5-(3-(diethylamino)-1-oxopropyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (5-(3-(diethylamino)-1-oxopropyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (5-(3-(diethylamino)-1-oxopropyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.