Anthallan hydrochloride
TL;DR: Anthallan hydrochloride (CAS 5968-79-6) is a chemical compound with molecular formula C17H26ClNO5 and molecular weight 359.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(dibutylamino)methyl]-4,5,6-trihydroxy-3H-2-benzofuran-1-one;hydrochloride
Also Known As: ANTHALLAN HYDROCHLORIDE, ANTHALLAN HCL, 3-((Dibutylamino)methyl)-4,5,6-trihydroxyphthalide hydrochloride, Phthalide, 3-((dibutylamino)methyl)-4,5,6-trihydroxy-, hydrochloride, 1(3H)-Isobenzofuranone, 3-((dibutylamino)methyl)-4,5,6-trihydroxy-, hydrochloride
| Molecular Formula | C17H26ClNO5 |
|---|---|
| Molecular Weight | 359.15 g/mol |
| LogP | 3.34 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 359.14996 |
| Heavy Atoms | 24 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 5968-79-6 |
|---|---|
| SMILES | CCCCN(CCCC)CC1C2=C(C(=C(C=C2C(=O)O1)O)O)O.Cl |
| InChIKey | AFDNCGALNDJAQN-UHFFFAOYSA-N |
Product Overview
Anthallan hydrochloride (CAS 5968-79-6), with molecular formula C17H26ClNO5 and molecular weight 359.15 g/mol. IUPAC: 3-[(dibutylamino)methyl]-4,5,6-trihydroxy-3H-2-benzofuran-1-one;hydrochloride.
Chemical Property Profile of Anthallan hydrochloride
Property Insights of Anthallan hydrochloride
The XLogP value of 3.34 indicates that Anthallan hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Anthallan hydrochloride. Following Lipinski's Rule of Five, Anthallan hydrochloride has 4 hydrogen bond donor(s) and 6 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 Anthallan hydrochloride?
The CAS number of Anthallan hydrochloride is 5968-79-6.
What is the molecular formula of Anthallan hydrochloride?
The molecular formula of Anthallan hydrochloride is C17H26ClNO5.
What is the molecular weight of Anthallan hydrochloride?
The molecular weight of Anthallan hydrochloride is 359.15 g/mol.
Where can I buy Anthallan hydrochloride?
You can request a quote for Anthallan hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anthallan hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Anthallan hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.