pergillin
TL;DR: pergillin (CAS 74798-20-2) is a chemical compound with molecular formula C15H16O4 and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R)-7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one
Also Known As: pergillin, MEGxm0_000033, ACon0_000334, 7H-Furo(3,2-h)(2)benzopyran-3(2H)-one, 6,9-dihydro-7-hydroxy-7-methyl-2-(1-methylethylidene)-, (7R)-, (7R)-7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one
| Molecular Formula | C15H16O4 |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.10486 |
| Heavy Atoms | 19 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 74798-20-2 |
|---|---|
| SMILES | CC(=C1C(=O)C2=C(O1)C3=C(C[C@](OC3)(C)O)C=C2)C |
| InChIKey | MKXDAWJZYZIEIP-OAHLLOKOSA-N |
Product Overview
pergillin (CAS 74798-20-2), with molecular formula C15H16O4 and molecular weight 260.10 g/mol. IUPAC: (7R)-7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one.
Chemical Property Profile of pergillin
Property Insights of pergillin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for pergillin. With a topological polar surface area (TPSA) of 55.8 Ų, pergillin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, pergillin has 1 hydrogen bond donor(s) and 4 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 pergillin?
The CAS number of pergillin is 74798-20-2.
What is the molecular formula of pergillin?
The molecular formula of pergillin is C15H16O4.
What is the molecular weight of pergillin?
The molecular weight of pergillin is 260.10 g/mol.
Where can I buy pergillin?
You can request a quote for pergillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pergillin?
Yes, KEHONG BIO provides custom synthesis services for pergillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.