Phthalanol, 3,3-dimethyl-1-(3-dimethylaminopropyl)-, oxalate
TL;DR: Phthalanol, 3,3-dimethyl-1-(3-dimethylaminopropyl)-, oxalate (CAS 63868-71-3) is a chemical compound with molecular formula C17H25NO6 and molecular weight 339.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-ol;oxalic acid
Also Known As: LU 3-034, Phthalanol, 3,3-dimethyl-1-(3-dimethylaminopropyl)-, oxalate, 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-ol; oxalic acid, 1-Isobenzofuranol, 1-[3-(dimethylamino)propyl]-1,3-dihydro-3,3-dimethyl-, ethanedioate (1:1) (salt), Oxalic acid--1-[3-(dimethylamino)propyl]-3,3-dimethyl-1,3-dihydro-2-benzofuran-1-ol (1/1)
| Molecular Formula | C17H25NO6 |
|---|---|
| Molecular Weight | 339.17 g/mol |
| LogP | 1.5944 |
| Topological Polar Surface Area | 107.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.16818 |
| Heavy Atoms | 24 |
| Complexity | 586.4985 |
Chemical Identifiers
| CAS Number | 63868-71-3 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(O1)(CCCN(C)C)O)C.C(=O)(C(=O)O)O |
Product Overview
Phthalanol, 3,3-dimethyl-1-(3-dimethylaminopropyl)-, oxalate (CAS 63868-71-3), with molecular formula C17H25NO6 and molecular weight 339.17 g/mol. IUPAC: 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-ol;oxalic acid.
Chemical Property Profile of Phthalanol, 3,3-dimethyl-1-(3-dimethylaminopropyl)-, oxalate
Property Insights of Phthalanol, 3,3-dimethyl-1-(3-dimethylaminopropyl)-, oxalate
The XLogP value of 1.5944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalanol, 3,3-dimethyl-1-(3-dimethylaminopropyl)-, oxalate. The TPSA of 107.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Phthalanol, 3,3-dimethyl-1-(3-dimethylaminopropyl)-, oxalate. Following Lipinski's Rule of Five, Phthalanol, 3,3-dimethyl-1-(3-dimethylaminopropyl)-, oxalate has 3 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 Phthalanol, 3,3-dimethyl-1-(3-dimethylaminopropyl)-, oxalate?
The CAS number of Phthalanol, 3,3-dimethyl-1-(3-dimethylaminopropyl)-, oxalate is 63868-71-3.
What is the molecular formula of Phthalanol, 3,3-dimethyl-1-(3-dimethylaminopropyl)-, oxalate?
The molecular formula of Phthalanol, 3,3-dimethyl-1-(3-dimethylaminopropyl)-, oxalate is C17H25NO6.
What is the molecular weight of Phthalanol, 3,3-dimethyl-1-(3-dimethylaminopropyl)-, oxalate?
The molecular weight of Phthalanol, 3,3-dimethyl-1-(3-dimethylaminopropyl)-, oxalate is 339.17 g/mol.
Where can I buy Phthalanol, 3,3-dimethyl-1-(3-dimethylaminopropyl)-, oxalate?
You can request a quote for Phthalanol, 3,3-dimethyl-1-(3-dimethylaminopropyl)-, oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthalanol, 3,3-dimethyl-1-(3-dimethylaminopropyl)-, oxalate?
Yes, KEHONG BIO provides custom synthesis services for Phthalanol, 3,3-dimethyl-1-(3-dimethylaminopropyl)-, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.