RefChem:381145
TL;DR: RefChem:381145 (CAS 76311-62-1) is a chemical compound with molecular formula C22H33ClN2O3 and molecular weight 408.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-1'-[(3S)-3-(diethylamino)butyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride
Also Known As: Spiro(naphthalene-1(2H),3'-pyrrolidine)-2',5'-dione, 3,4-dihydro-1'-(3-(diethylamino)butyl)-6-methoxy-, hydrochloride, (1S)-1'-[(3S)-3-(Diethylamino)butyl]-6-methoxy-3,4-dihydro-2H-spiro[naphthalene-1,3'-pyrrolidine]-2',5'-dione--hydrogen chloride (1/1), (4S)-1'-[(3S)-3-(diethylamino)butyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione hydrochloride, RefChem:381145
| Molecular Formula | C22H33ClN2O3 |
|---|---|
| Molecular Weight | 408.22 g/mol |
| LogP | 3.5704 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.21796 |
| Heavy Atoms | 28 |
| Complexity | 719.73346 |
Chemical Identifiers
| CAS Number | 76311-62-1 |
|---|---|
| SMILES | CCN(CC)[C@@H](C)CCN1C(=O)C[C@@]2(C1=O)CCCC3=C2C=CC(=C3)OC.Cl |
Product Overview
RefChem:381145 (CAS 76311-62-1), with molecular formula C22H33ClN2O3 and molecular weight 408.22 g/mol. IUPAC: (4S)-1'-[(3S)-3-(diethylamino)butyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride.
Chemical Property Profile of RefChem:381145
Property Insights of RefChem:381145
The XLogP value of 3.5704 indicates that RefChem:381145 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, RefChem:381145 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:381145 has 0 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:381145?
The CAS number of RefChem:381145 is 76311-62-1.
What is the molecular formula of RefChem:381145?
The molecular formula of RefChem:381145 is C22H33ClN2O3.
What is the molecular weight of RefChem:381145?
The molecular weight of RefChem:381145 is 408.22 g/mol.
Where can I buy RefChem:381145?
You can request a quote for RefChem:381145 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:381145?
Yes, KEHONG BIO provides custom synthesis services for RefChem:381145 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.