RefChem:331795
TL;DR: RefChem:331795 (CAS 78816-53-2) is a chemical compound with molecular formula C24H30ClN3O3 and molecular weight 443.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[11-(3-piperidin-1-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride
Also Known As: Carbamic acid, (10,11-dihydro-5-(1-oxo-3-(1-piperidinyl)propyl)-5H-dibenz(b,f)azepin-3-yl)-, methyl ester, monohydrochloride, methyl N-[11-(3-piperidin-1-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride, methyl (5-(3-(piperidin-1-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate hydrochloride, Methyl {5-[3-(piperidin-1-yl)propanoyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate--hydrogen chloride (1/1), methyl N-[11-(3-piperidin-1-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate hydrochloride
| Molecular Formula | C24H30ClN3O3 |
|---|---|
| Molecular Weight | 443.20 g/mol |
| LogP | 4.926 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.19757 |
| Heavy Atoms | 31 |
| Complexity | 928.0356 |
Chemical Identifiers
| CAS Number | 78816-53-2 |
|---|---|
| SMILES | COC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCN4CCCCC4)C=C1.Cl |
Product Overview
RefChem:331795 (CAS 78816-53-2), with molecular formula C24H30ClN3O3 and molecular weight 443.20 g/mol. IUPAC: methyl N-[11-(3-piperidin-1-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride.
Chemical Property Profile of RefChem:331795
Property Insights of RefChem:331795
The XLogP value of 4.926 indicates that RefChem:331795 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:331795. Following Lipinski's Rule of Five, RefChem:331795 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:331795?
The CAS number of RefChem:331795 is 78816-53-2.
What is the molecular formula of RefChem:331795?
The molecular formula of RefChem:331795 is C24H30ClN3O3.
What is the molecular weight of RefChem:331795?
The molecular weight of RefChem:331795 is 443.20 g/mol.
Where can I buy RefChem:331795?
You can request a quote for RefChem:331795 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331795?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331795 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.