Spiracine
TL;DR: Spiracine (CAS 77156-24-2) is a chemical compound with molecular formula C23H35NO10 and molecular weight 485.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,19R)-4,5,9-trihydroxy-4-(2-hydroxybutan-2-yl)-8-methyl-9-propan-2-yl-2,7,11-trioxa-16-azatricyclo[11.5.1.016,19]nonadec-13-ene-3,6,10-trione
Also Known As: Spiracine, (1R,19R)-4,5,9-Trihydroxy-4-(2-hydroxybutan-2-yl)-8-methyl-9-propan-2-yl-2,7,11-trioxa-16-azatricyclo[11.5.1.016,19]nonadec-13-ene-3,6,10-trione, (16aR,16bR)-3,4,8-trihydroxy-3-(2-hydroxybutan-2-yl)-7-methyl-8-(propan-2-yl)-3,4,11,13,15,16,16a,16b-octahydro-7H-[1,5,10]trioxacyclotetradecino[7,8,9-gh]pyrrolizine-2,5,9(8H)-trione, 3,4,8-Trihydroxy-3-(2-hydroxybutan-2-yl)-7-methyl-8-(propan-2-yl)-3,4,11,13,15,16,16a,16b-octahydro-7H-[1,5,10]trioxacyclotetradecino[7,8,9-gh]pyrrolizine-2,5,9(8H)-trione, 7H-(1,5,10)Trioxacyclotetradecino(7,8,9-gh)pyrrolizine-2,5,9(8H)-trione,3,4,11,13,15,16,16a,16b-octahydro-3,4,8-trihydroxy-3-(1-hydroxy-1-methylpropyl)-7-methyl-8-(1-methylethyl)-, (16aR,16bR)-
| Molecular Formula | C23H35NO10 |
|---|---|
| Molecular Weight | 485.23 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 485.2261 |
| Heavy Atoms | 34 |
| Complexity | 874.0 |
Chemical Identifiers
| CAS Number | 77156-24-2 |
|---|---|
| SMILES | CCC(C)(C1(C(C(=O)OC(C(C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C(C)C)O)C)O)O)O |
| InChIKey | ZMTPMWQLYFVWSP-YHWJFGDTSA-N |
Product Overview
Spiracine (CAS 77156-24-2), with molecular formula C23H35NO10 and molecular weight 485.23 g/mol. IUPAC: (1R,19R)-4,5,9-trihydroxy-4-(2-hydroxybutan-2-yl)-8-methyl-9-propan-2-yl-2,7,11-trioxa-16-azatricyclo[11.5.1.016,19]nonadec-13-ene-3,6,10-trione.
Chemical Property Profile of Spiracine
Property Insights of Spiracine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiracine. The TPSA of 163.0 Ų indicates high polarity, suggesting Spiracine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spiracine has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spiracine?
The CAS number of Spiracine is 77156-24-2.
What is the molecular formula of Spiracine?
The molecular formula of Spiracine is C23H35NO10.
What is the molecular weight of Spiracine?
The molecular weight of Spiracine is 485.23 g/mol.
Where can I buy Spiracine?
You can request a quote for Spiracine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiracine?
Yes, KEHONG BIO provides custom synthesis services for Spiracine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.