7-(2-Hydroxy-3-tert-butylaminopropoxy)phthalide
TL;DR: 7-(2-Hydroxy-3-tert-butylaminopropoxy)phthalide (CAS 6336-97-6) is a chemical compound with molecular formula C15H22ClNO4 and molecular weight 315.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(tert-butylamino)-2-hydroxypropoxy]-3H-2-benzofuran-1-one;hydrochloride
Also Known As: AFUROLOL HYDROCHLORIDE, DL 071-IT hydrochloride, DL-071-IT, DL 071IT, DL 071-IT
| Molecular Formula | C15H22ClNO4 |
|---|---|
| Molecular Weight | 315.12 g/mol |
| LogP | 1.9066 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.12375 |
| Heavy Atoms | 21 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 6336-97-6 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=CC=CC2=C1C(=O)OC2)O.Cl |
| InChIKey | KTIQCDLYPPAYBF-UHFFFAOYSA-N |
Product Overview
7-(2-Hydroxy-3-tert-butylaminopropoxy)phthalide (CAS 6336-97-6), with molecular formula C15H22ClNO4 and molecular weight 315.12 g/mol. IUPAC: 7-[3-(tert-butylamino)-2-hydroxypropoxy]-3H-2-benzofuran-1-one;hydrochloride.
Chemical Property Profile of 7-(2-Hydroxy-3-tert-butylaminopropoxy)phthalide
Property Insights of 7-(2-Hydroxy-3-tert-butylaminopropoxy)phthalide
The XLogP value of 1.9066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-Hydroxy-3-tert-butylaminopropoxy)phthalide. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-Hydroxy-3-tert-butylaminopropoxy)phthalide. Following Lipinski's Rule of Five, 7-(2-Hydroxy-3-tert-butylaminopropoxy)phthalide 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 7-(2-Hydroxy-3-tert-butylaminopropoxy)phthalide?
The CAS number of 7-(2-Hydroxy-3-tert-butylaminopropoxy)phthalide is 6336-97-6.
What is the molecular formula of 7-(2-Hydroxy-3-tert-butylaminopropoxy)phthalide?
The molecular formula of 7-(2-Hydroxy-3-tert-butylaminopropoxy)phthalide is C15H22ClNO4.
What is the molecular weight of 7-(2-Hydroxy-3-tert-butylaminopropoxy)phthalide?
The molecular weight of 7-(2-Hydroxy-3-tert-butylaminopropoxy)phthalide is 315.12 g/mol.
Where can I buy 7-(2-Hydroxy-3-tert-butylaminopropoxy)phthalide?
You can request a quote for 7-(2-Hydroxy-3-tert-butylaminopropoxy)phthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(2-Hydroxy-3-tert-butylaminopropoxy)phthalide?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-Hydroxy-3-tert-butylaminopropoxy)phthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.