Isocromadurine
TL;DR: Isocromadurine (CAS 57495-69-9) is a chemical compound with molecular formula C16H23NO5 and molecular weight 309.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4R,5S,6S,16R)-5-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Also Known As: Fulvine, Isocromadurine, Crispatine, 13-Epicrispatine, 16-H13-N-O5
| Molecular Formula | C16H23NO5 |
|---|---|
| Molecular Weight | 309.16 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 309.15762 |
| Heavy Atoms | 22 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 57495-69-9 |
|---|---|
| SMILES | C[C@@H]1C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)[C@@H]([C@@]1(C)O)C |
| InChIKey | PSUFRPOAICRSTC-ZLGRWFNRSA-N |
Product Overview
Isocromadurine (CAS 57495-69-9), with molecular formula C16H23NO5 and molecular weight 309.16 g/mol. IUPAC: (1R,4R,5S,6S,16R)-5-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione.
Chemical Property Profile of Isocromadurine
Property Insights of Isocromadurine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isocromadurine. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Isocromadurine. Following Lipinski's Rule of Five, Isocromadurine has 1 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 Isocromadurine?
The CAS number of Isocromadurine is 57495-69-9.
What is the molecular formula of Isocromadurine?
The molecular formula of Isocromadurine is C16H23NO5.
What is the molecular weight of Isocromadurine?
The molecular weight of Isocromadurine is 309.16 g/mol.
Where can I buy Isocromadurine?
You can request a quote for Isocromadurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocromadurine?
Yes, KEHONG BIO provides custom synthesis services for Isocromadurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.