Herbarumin Iii
TL;DR: Herbarumin Iii (CAS 533935-64-7) is a chemical compound with molecular formula C12H20O3 and molecular weight 212.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4R,5E)-4-hydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
Also Known As: Herbarumin III, IWZXZFNLDPFUKQ-NAJRYUOPSA-, (2R,4R,5E)-4-hydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one, J2.056.061D, (7R,9R)-7-hydroxy-9-propyl-5-nonen-9-olide
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 533935-64-7 |
|---|---|
| SMILES | CCC[C@@H]1C[C@H](/C=C/CCCC(=O)O1)O |
| InChIKey | IWZXZFNLDPFUKQ-NAJRYUOPSA-N |
Product Overview
Herbarumin Iii (CAS 533935-64-7), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: (2R,4R,5E)-4-hydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one.
Chemical Property Profile of Herbarumin Iii
Property Insights of Herbarumin Iii
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Herbarumin Iii. With a topological polar surface area (TPSA) of 46.5 Ų, Herbarumin Iii exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Herbarumin Iii has 1 hydrogen bond donor(s) and 3 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 Herbarumin Iii?
The CAS number of Herbarumin Iii is 533935-64-7.
What is the molecular formula of Herbarumin Iii?
The molecular formula of Herbarumin Iii is C12H20O3.
What is the molecular weight of Herbarumin Iii?
The molecular weight of Herbarumin Iii is 212.14 g/mol.
Where can I buy Herbarumin Iii?
You can request a quote for Herbarumin Iii directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Herbarumin Iii?
Yes, KEHONG BIO provides custom synthesis services for Herbarumin Iii and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.