Mdl 72832
TL;DR: Mdl 72832 (CAS 113777-33-6) is a chemical compound with molecular formula C22H30N2O4 and molecular weight 386.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)butyl]-8-azaspiro[4.5]decane-7,9-dione
Also Known As: Mdl 72832, Biomol-NT_000125, BPBio1_000222, 8-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)butyl]-8-azaspiro[4.5]decane-7,9-dione, BRD-A17453586-001-01-9
| Molecular Formula | C22H30N2O4 |
|---|---|
| Molecular Weight | 386.22 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.22055 |
| Heavy Atoms | 28 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 113777-33-6 |
|---|---|
| SMILES | C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCNCC3COC4=CC=CC=C4O3 |
| InChIKey | HCVRCHQFYYZPHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mdl 72832 (CAS 113777-33-6), with molecular formula C22H30N2O4 and molecular weight 386.22 g/mol. IUPAC: 8-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)butyl]-8-azaspiro[4.5]decane-7,9-dione.
Chemical Property Profile of Mdl 72832
Property Insights of Mdl 72832
The XLogP value of 3.0 indicates that Mdl 72832 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Mdl 72832. Following Lipinski's Rule of Five, Mdl 72832 has 1 hydrogen bond donor(s) and 5 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 Mdl 72832?
The CAS number of Mdl 72832 is 113777-33-6.
What is the molecular formula of Mdl 72832?
The molecular formula of Mdl 72832 is C22H30N2O4.
What is the molecular weight of Mdl 72832?
The molecular weight of Mdl 72832 is 386.22 g/mol.
Where can I buy Mdl 72832?
You can request a quote for Mdl 72832 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mdl 72832?
Yes, KEHONG BIO provides custom synthesis services for Mdl 72832 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.