Modiolide A
TL;DR: Modiolide A (CAS 507219-67-2) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S,5E,7R,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one
Also Known As: Modiolide A, J1.890.244C, (2R,4S,5E,7R,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one, 5,8-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-oxecin-2-one, (3Z,5R,6E,8S,10R)-5,8,9,10-Tetrahydro-5,8-dihydroxy-10-methyl-2H-oxecin-2-one
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 507219-67-2 |
|---|---|
| SMILES | C[C@@H]1C[C@@H](/C=C/[C@H](/C=C\C(=O)O1)O)O |
| InChIKey | MKPZLFSGCUYQEY-JKPBTABPSA-N |
Product Overview
Modiolide A (CAS 507219-67-2), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: (2R,4S,5E,7R,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one.
Chemical Property Profile of Modiolide A
Property Insights of Modiolide A
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Modiolide A. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Modiolide A. Following Lipinski's Rule of Five, Modiolide A has 2 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 Modiolide A?
The CAS number of Modiolide A is 507219-67-2.
What is the molecular formula of Modiolide A?
The molecular formula of Modiolide A is C10H14O4.
What is the molecular weight of Modiolide A?
The molecular weight of Modiolide A is 198.09 g/mol.
Where can I buy Modiolide A?
You can request a quote for Modiolide A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Modiolide A?
Yes, KEHONG BIO provides custom synthesis services for Modiolide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.