Spirocardin A
TL;DR: Spirocardin A (CAS 6325-11-7) is a chemical compound with molecular formula C20H30O6 and molecular weight 366.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4,5-dihydroxy-1,6-dioxaspiro[2.4]heptan-7-yl)methyl]-2-hydroxy-3,4,8,8a-tetramethyl-3,4a,5,6-tetrahydro-2H-naphthalen-1-one
Also Known As: Spirocardin A, 1(2H)-Naphthalenone, 3,4,4a,5,6,8a-hexahydro-4-((6,7-dihydroxy-1,5-dioxaspiro(2.4)hept-4-yl)methyl)-2-hydroxy-3,4,8,8a-tetramethyl-, 1(2H)-Naphthalenone, 4-((6,7-dihydroxy-1,5-dioxaspiro(2.4)hept-4-yl)methyl)-3,4,4a,5,6,8a-hexahydro-2-hydroxy-3,4,8,8a-tetramethyl-, 4-[(4,5-dihydroxy-1,6-dioxaspiro[2.4]heptan-7-yl)methyl]-2-hydroxy-3,4,8,8a-tetramethyl-3,4a,5,6-tetrahydro-2H-naphthalen-1-one, 4-[(6,7-dihydroxy-1,5-dioxaspiro[2.4]hept-4-yl)methyl]-2-hydroxy-3,4,8,8a-tetramethyl-3,4,4a,5,6,8a-hexahydronaphthalen-1(2h)-one
| Molecular Formula | C20H30O6 |
|---|---|
| Molecular Weight | 366.20 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.20422 |
| Heavy Atoms | 26 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 6325-11-7 |
|---|---|
| SMILES | CC1C(C(=O)C2(C(C1(C)CC3C4(CO4)C(C(O3)O)O)CCC=C2C)C)O |
| InChIKey | BHDYBYAEPPUJEJ-UHFFFAOYSA-N |
Product Overview
Spirocardin A (CAS 6325-11-7), with molecular formula C20H30O6 and molecular weight 366.20 g/mol. IUPAC: 4-[(4,5-dihydroxy-1,6-dioxaspiro[2.4]heptan-7-yl)methyl]-2-hydroxy-3,4,8,8a-tetramethyl-3,4a,5,6-tetrahydro-2H-naphthalen-1-one.
Chemical Property Profile of Spirocardin A
Property Insights of Spirocardin A
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spirocardin A. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Spirocardin A. Following Lipinski's Rule of Five, Spirocardin A has 3 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 Spirocardin A?
The CAS number of Spirocardin A is 6325-11-7.
What is the molecular formula of Spirocardin A?
The molecular formula of Spirocardin A is C20H30O6.
What is the molecular weight of Spirocardin A?
The molecular weight of Spirocardin A is 366.20 g/mol.
Where can I buy Spirocardin A?
You can request a quote for Spirocardin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spirocardin A?
Yes, KEHONG BIO provides custom synthesis services for Spirocardin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.