6-Amino-3-butyl-phthalide
TL;DR: 6-Amino-3-butyl-phthalide (CAS 385810-91-3) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3-butyl-3H-2-benzofuran-1-one
Also Known As: 6-Amino-3-butyl-phthalide, 6-amino-3-butyl-3H-2-benzofuran-1-one, 1(3H)-Isobenzofuranone,3-Bu-6-NH2, 6-amino-3-butyl-2-benzofuran-1(3H)-one, 1-Butyl-5-aminoisobenzofuran-3(1H)-one
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 2.6705 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 387.20856 |
Chemical Identifiers
| CAS Number | 385810-91-3 |
|---|---|
| SMILES | CCCCC1C2=C(C=C(C=C2)N)C(=O)O1 |
Product Overview
6-Amino-3-butyl-phthalide (CAS 385810-91-3), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: 6-amino-3-butyl-3H-2-benzofuran-1-one.
Chemical Property Profile of 6-Amino-3-butyl-phthalide
Property Insights of 6-Amino-3-butyl-phthalide
The XLogP value of 2.6705 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-3-butyl-phthalide. With a topological polar surface area (TPSA) of 52.32 Ų, 6-Amino-3-butyl-phthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Amino-3-butyl-phthalide has 1 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 6-Amino-3-butyl-phthalide?
The CAS number of 6-Amino-3-butyl-phthalide is 385810-91-3.
What is the molecular formula of 6-Amino-3-butyl-phthalide?
The molecular formula of 6-Amino-3-butyl-phthalide is C12H15NO2.
What is the molecular weight of 6-Amino-3-butyl-phthalide?
The molecular weight of 6-Amino-3-butyl-phthalide is 205.11 g/mol.
Where can I buy 6-Amino-3-butyl-phthalide?
You can request a quote for 6-Amino-3-butyl-phthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-3-butyl-phthalide?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-3-butyl-phthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.