Crocandine
TL;DR: Crocandine (CAS 72903-70-9) is a chemical compound with molecular formula C16H25NO5 and molecular weight 311.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione
Also Known As: Crocandine, Isocrocandine, N-(3-Aminopropyl)-1,3-propanediamine trihydrochloride, 5-Hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione, 2H-(1,6)Dioxacycloundecino(2,3,4-gh)pyrrolizine-2,6(3H)-dione,decahydro-4-hydroxy-3,4,5-trimethyl-, (8aR,13aR,13bR)-
| Molecular Formula | C16H25NO5 |
|---|---|
| Molecular Weight | 311.17 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 311.17328 |
| Heavy Atoms | 22 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 72903-70-9 |
|---|---|
| SMILES | CC1C(=O)OCC2CCN3C2C(CC3)OC(=O)C(C1(C)O)C |
| InChIKey | HUXORIJETCKEAL-UHFFFAOYSA-N |
Product Overview
Crocandine (CAS 72903-70-9), with molecular formula C16H25NO5 and molecular weight 311.17 g/mol. IUPAC: 5-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione.
Chemical Property Profile of Crocandine
Property Insights of Crocandine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crocandine. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Crocandine. Following Lipinski's Rule of Five, Crocandine 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 Crocandine?
The CAS number of Crocandine is 72903-70-9.
What is the molecular formula of Crocandine?
The molecular formula of Crocandine is C16H25NO5.
What is the molecular weight of Crocandine?
The molecular weight of Crocandine is 311.17 g/mol.
Where can I buy Crocandine?
You can request a quote for Crocandine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crocandine?
Yes, KEHONG BIO provides custom synthesis services for Crocandine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.