ChemDiv3_004599
TL;DR: ChemDiv3_004599 (CAS 1008091-89-1) is a chemical compound with molecular formula C18H32N2O5 and molecular weight 356.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dipropyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: ChemDiv3_004599, IDI1_022509, 5,7-dipropyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, AJ-292/41599863, 5,7-dipropyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazaadamantan-6-one
| Molecular Formula | C18H32N2O5 |
|---|---|
| Molecular Weight | 356.23 g/mol |
| LogP | -0.8256 |
| Topological Polar Surface Area | 104.47 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 356.2311 |
| Heavy Atoms | 25 |
| Complexity | 469.6949 |
Chemical Identifiers
| CAS Number | 1008091-89-1 |
|---|---|
| SMILES | CCCC12CN3CC(C1=O)(CN(C2)C3C(C(C(CO)O)O)O)CCC |
Product Overview
ChemDiv3_004599 (CAS 1008091-89-1), with molecular formula C18H32N2O5 and molecular weight 356.23 g/mol. IUPAC: 5,7-dipropyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of ChemDiv3_004599
Property Insights of ChemDiv3_004599
The XLogP value of -0.8256 indicates that ChemDiv3_004599 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.47 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004599. Following Lipinski's Rule of Five, ChemDiv3_004599 has 4 hydrogen bond donor(s) and 7 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 ChemDiv3_004599?
The CAS number of ChemDiv3_004599 is 1008091-89-1.
What is the molecular formula of ChemDiv3_004599?
The molecular formula of ChemDiv3_004599 is C18H32N2O5.
What is the molecular weight of ChemDiv3_004599?
The molecular weight of ChemDiv3_004599 is 356.23 g/mol.
Where can I buy ChemDiv3_004599?
You can request a quote for ChemDiv3_004599 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004599?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004599 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.