ChemDiv2_001080
TL;DR: ChemDiv2_001080 (CAS 355822-82-1) is a chemical compound with molecular formula C16H23NO4 and molecular weight 293.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2,2-dimethyloxan-4-ol
Also Known As: ChemDiv2_001080, 4-{[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-methyl}-2,2-dimethyl-tetrahydro-pyran-4-ol, BAS 02081509, 4-(((Benzo[d][1,3]dioxol-5-ylmethyl)amino)methyl)-2,2-dimethyltetrahydro-2H-pyran-4-ol, 4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2,2-dimethyloxan-4-ol
| Molecular Formula | C16H23NO4 |
|---|---|
| Molecular Weight | 293.16 g/mol |
| LogP | 1.825 |
| Topological Polar Surface Area | 59.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.16272 |
| Heavy Atoms | 21 |
| Complexity | 516.9985 |
Chemical Identifiers
| CAS Number | 355822-82-1 |
|---|---|
| SMILES | CC1(CC(CCO1)(CNCC2=CC3=C(C=C2)OCO3)O)C |
Product Overview
ChemDiv2_001080 (CAS 355822-82-1), with molecular formula C16H23NO4 and molecular weight 293.16 g/mol. IUPAC: 4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2,2-dimethyloxan-4-ol.
Chemical Property Profile of ChemDiv2_001080
Property Insights of ChemDiv2_001080
The XLogP value of 1.825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_001080. With a topological polar surface area (TPSA) of 59.95 Ų, ChemDiv2_001080 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_001080 has 2 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 ChemDiv2_001080?
The CAS number of ChemDiv2_001080 is 355822-82-1.
What is the molecular formula of ChemDiv2_001080?
The molecular formula of ChemDiv2_001080 is C16H23NO4.
What is the molecular weight of ChemDiv2_001080?
The molecular weight of ChemDiv2_001080 is 293.16 g/mol.
Where can I buy ChemDiv2_001080?
You can request a quote for ChemDiv2_001080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001080?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.