5-Dimethylaminophthalide
TL;DR: 5-Dimethylaminophthalide (CAS 65399-09-9) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(dimethylamino)-3H-2-benzofuran-1-one
Also Known As: 5-Dimethylaminophthalide, 5-dimethylaninophthalide, 5-(dimethylamino)-3H-2-benzofuran-1-one, 5-(dimethylamino)-2-benzofuran-1(3H)-one, 1(3H)-Isobenzofuranone, 5-(dimethylamino)-
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 1.423 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 357.9424 |
Chemical Identifiers
| CAS Number | 65399-09-9 |
|---|---|
| SMILES | CN(C)C1=CC2=C(C=C1)C(=O)OC2 |
Product Overview
5-Dimethylaminophthalide (CAS 65399-09-9), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: 5-(dimethylamino)-3H-2-benzofuran-1-one.
Chemical Property Profile of 5-Dimethylaminophthalide
Property Insights of 5-Dimethylaminophthalide
The XLogP value of 1.423 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Dimethylaminophthalide. With a topological polar surface area (TPSA) of 29.54 Ų, 5-Dimethylaminophthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Dimethylaminophthalide has 0 hydrogen bond donor(s) and 3 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 5-Dimethylaminophthalide?
The CAS number of 5-Dimethylaminophthalide is 65399-09-9.
What is the molecular formula of 5-Dimethylaminophthalide?
The molecular formula of 5-Dimethylaminophthalide is C10H11NO2.
What is the molecular weight of 5-Dimethylaminophthalide?
The molecular weight of 5-Dimethylaminophthalide is 177.08 g/mol.
Where can I buy 5-Dimethylaminophthalide?
You can request a quote for 5-Dimethylaminophthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Dimethylaminophthalide?
Yes, KEHONG BIO provides custom synthesis services for 5-Dimethylaminophthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.