Diaporthin
TL;DR: Diaporthin (CAS 6512-79-4) is a chemical compound with molecular formula C13H14O5 and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-hydroxy-3-[(2S)-2-hydroxypropyl]-6-methoxyisochromen-1-one
Also Known As: Diaporthin, (+)-Diaporthin, (S)-8-Hydroxy-3-(2-hydroxypropyl)-6-methoxy-1H-2-benzopyran-1-one, 8-hydroxy-3-[(2S)-2-hydroxypropyl]-6-methoxyisochromen-1-one, Isocoumarin, 8-hydroxy-3-(2-hydroxypropyl)-6-methoxy-, (+)-
| Molecular Formula | C13H14O5 |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 1.4305 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.08412 |
| Heavy Atoms | 18 |
| Complexity | 627.04956 |
Chemical Identifiers
| CAS Number | 6512-79-4 |
|---|---|
| SMILES | C[C@@H](CC1=CC2=CC(=CC(=C2C(=O)O1)O)OC)O |
Product Overview
Diaporthin (CAS 6512-79-4), with molecular formula C13H14O5 and molecular weight 250.08 g/mol. IUPAC: 8-hydroxy-3-[(2S)-2-hydroxypropyl]-6-methoxyisochromen-1-one.
Chemical Property Profile of Diaporthin
Property Insights of Diaporthin
The XLogP value of 1.4305 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diaporthin. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diaporthin. Following Lipinski's Rule of Five, Diaporthin has 2 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 Diaporthin?
The CAS number of Diaporthin is 6512-79-4.
What is the molecular formula of Diaporthin?
The molecular formula of Diaporthin is C13H14O5.
What is the molecular weight of Diaporthin?
The molecular weight of Diaporthin is 250.08 g/mol.
Where can I buy Diaporthin?
You can request a quote for Diaporthin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diaporthin?
Yes, KEHONG BIO provides custom synthesis services for Diaporthin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.