![N-[5-(3-chloropropanoyl)(10H,11H-dibenzo[b,f]azepin-3-yl)]ethoxycarboxamide structure](/static/products/788/78816-41-8.png)
N-[5-(3-chloropropanoyl)(10H,11H-dibenzo[b,f]azepin-3-yl)]ethoxycarboxamide
TL;DR: N-[5-(3-chloropropanoyl)(10H,11H-dibenzo[b,f]azepin-3-yl)]ethoxycarboxamide (CAS 78816-41-8) is a chemical compound with molecular formula C20H21ClN2O3 and molecular weight 372.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[11-(3-chloropropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
Also Known As: BAS 01176562, [5-(3-Chloro-propionyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]-carbamic acid, ethyl (5-(3-chloropropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate, ethyl [5-(3-chloropropanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate, ethyl N-[11-(3-chloropropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
| Molecular Formula | C20H21ClN2O3 |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | 4.6472 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.12408 |
| Heavy Atoms | 26 |
| Complexity | 822.4536 |
Chemical Identifiers
| CAS Number | 78816-41-8 |
|---|---|
| SMILES | CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCCl)C=C1 |
Product Overview
N-[5-(3-chloropropanoyl)(10H,11H-dibenzo[b,f]azepin-3-yl)]ethoxycarboxamide (CAS 78816-41-8), with molecular formula C20H21ClN2O3 and molecular weight 372.12 g/mol. IUPAC: ethyl N-[11-(3-chloropropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate.
Chemical Property Profile of N-[5-(3-chloropropanoyl)(10H,11H-dibenzo[b,f]azepin-3-yl)]ethoxycarboxamide
Property Insights of N-[5-(3-chloropropanoyl)(10H,11H-dibenzo[b,f]azepin-3-yl)]ethoxycarboxamide
The XLogP value of 4.6472 indicates that N-[5-(3-chloropropanoyl)(10H,11H-dibenzo[b,f]azepin-3-yl)]ethoxycarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, N-[5-(3-chloropropanoyl)(10H,11H-dibenzo[b,f]azepin-3-yl)]ethoxycarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[5-(3-chloropropanoyl)(10H,11H-dibenzo[b,f]azepin-3-yl)]ethoxycarboxamide has 1 hydrogen bond donor(s) and 3 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 N-[5-(3-chloropropanoyl)(10H,11H-dibenzo[b,f]azepin-3-yl)]ethoxycarboxamide?
The CAS number of N-[5-(3-chloropropanoyl)(10H,11H-dibenzo[b,f]azepin-3-yl)]ethoxycarboxamide is 78816-41-8.
What is the molecular formula of N-[5-(3-chloropropanoyl)(10H,11H-dibenzo[b,f]azepin-3-yl)]ethoxycarboxamide?
The molecular formula of N-[5-(3-chloropropanoyl)(10H,11H-dibenzo[b,f]azepin-3-yl)]ethoxycarboxamide is C20H21ClN2O3.
What is the molecular weight of N-[5-(3-chloropropanoyl)(10H,11H-dibenzo[b,f]azepin-3-yl)]ethoxycarboxamide?
The molecular weight of N-[5-(3-chloropropanoyl)(10H,11H-dibenzo[b,f]azepin-3-yl)]ethoxycarboxamide is 372.12 g/mol.
Where can I buy N-[5-(3-chloropropanoyl)(10H,11H-dibenzo[b,f]azepin-3-yl)]ethoxycarboxamide?
You can request a quote for N-[5-(3-chloropropanoyl)(10H,11H-dibenzo[b,f]azepin-3-yl)]ethoxycarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[5-(3-chloropropanoyl)(10H,11H-dibenzo[b,f]azepin-3-yl)]ethoxycarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(3-chloropropanoyl)(10H,11H-dibenzo[b,f]azepin-3-yl)]ethoxycarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.