RefChem:331802
TL;DR: RefChem:331802 (CAS 78816-50-9) is a chemical compound with molecular formula C22H28ClN3O3 and molecular weight 417.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[11-[3-(dimethylamino)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride
Also Known As: Carbamic acid, (10,11-dihydro-5-(3-(dimethylamino)-1-oxopropyl)-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride, Ethyl [5-(N,N-dimethyl-beta-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate--hydrogen chloride (1/1), ethyl N-[11-[3-(dimethylamino)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate hydrochloride, RefChem:331802
| Molecular Formula | C22H28ClN3O3 |
|---|---|
| Molecular Weight | 417.18 g/mol |
| LogP | 4.3918 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.18192 |
| Heavy Atoms | 29 |
| Complexity | 870.13104 |
Chemical Identifiers
| CAS Number | 78816-50-9 |
|---|---|
| SMILES | CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCN(C)C)C=C1.Cl |
Product Overview
RefChem:331802 (CAS 78816-50-9), with molecular formula C22H28ClN3O3 and molecular weight 417.18 g/mol. IUPAC: ethyl N-[11-[3-(dimethylamino)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride.
Chemical Property Profile of RefChem:331802
Property Insights of RefChem:331802
The XLogP value of 4.3918 indicates that RefChem:331802 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 RefChem:331802. Following Lipinski's Rule of Five, RefChem:331802 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 RefChem:331802?
The CAS number of RefChem:331802 is 78816-50-9.
What is the molecular formula of RefChem:331802?
The molecular formula of RefChem:331802 is C22H28ClN3O3.
What is the molecular weight of RefChem:331802?
The molecular weight of RefChem:331802 is 417.18 g/mol.
Where can I buy RefChem:331802?
You can request a quote for RefChem:331802 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331802?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331802 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.