RefChem:331786
TL;DR: RefChem:331786 (CAS 134068-37-4) is a chemical compound with molecular formula C22H28ClN3O3 and molecular weight 417.18192 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N-[11-[2-(propan-2-ylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride
Also Known As: Carbamic acid, (10,11-dihydro-5-(((1-methylethyl)amino)acetyl)-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride, Ethyl (10,11-dihydro-5-(((1-methylethyl)amino)acetyl)-5H-dibenz(b,f)azepin-3-yl)carbamate HCl, 3-Carbethoxyamino-5-isopropylaminoacetyl-10,11-dihydro-5H-dibenz(b,f)azepine hydrochloride, Ethyl {5-[N-(propan-2-yl)glycyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate--hydrogen chloride (1/1), ethyl N-[11-[2-(propan-2-ylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate hydrochloride
Technical Specifications
| Molecular Formula | C22H28ClN3O3 |
| Molecular Weight | 417.18192 g/mol |
| XLogP | 4.4381 |
| Topological Polar Surface Area (TPSA) | 70.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.18192 Da |
| Heavy Atoms | 29 |
| Complexity | 539.0 |
| SMILES | CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CNC(C)C)C=C1.Cl |
| InChIKey | QZVBJOAMIIAUFO-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:331786
Property Insights of RefChem:331786
The XLogP value of 4.4381 indicates that RefChem:331786 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331786. Following Lipinski's Rule of Five, RefChem:331786 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:331786?
The CAS number of RefChem:331786 is 134068-37-4.
What is the molecular formula of RefChem:331786?
The molecular formula of RefChem:331786 is C22H28ClN3O3.
What is the molecular weight of RefChem:331786?
The molecular weight of RefChem:331786 is 417.18192 g/mol.
Where can I buy RefChem:331786?
You can request a quote for RefChem:331786 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:331786?
Yes, CoreyChem provides custom synthesis services for RefChem:331786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.