Spirocardin B
TL;DR: Spirocardin B (CAS 6326-02-9) is a chemical compound with molecular formula C20H32O6 and molecular weight 368.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[2-(1,2-dihydroxyethyl)oxiran-2-yl]-2-hydroxyethyl]-2-hydroxy-3,4,8,8a-tetramethyl-3,4a,5,6-tetrahydro-2H-naphthalen-1-one
Also Known As: Spirocardin B, spirocardinB, 4-{2-[2-(1,2-dihydroxyethyl)oxiran-2-yl]-2-hydroxyethyl}-2-hydroxy-3,4,8,8a-tetramethyl-3,4,4a,5,6,8a-hexahydronaphthalen-1(2h)-one, 1(2H)-Naphthalenone, 4-(2-(2-(1,2-dihydroxyethyl)oxiranyl)-2-hydroxyethyl)-3,4,4a,5,6,8a-hexahydro-2-hydroxy-3,4,8,8a-tetramethyl-, 4-[2-[2-(1,2-dihydroxyethyl)oxiran-2-yl]-2-hydroxyethyl]-2-hydroxy-3,4,8,8a-tetramethyl-3,4a,5,6-tetrahydro-2H-naphthalen-1-one
| Molecular Formula | C20H32O6 |
|---|---|
| Molecular Weight | 368.22 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.21988 |
| Heavy Atoms | 26 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 6326-02-9 |
|---|---|
| SMILES | CC1C(C(=O)C2(C(C1(C)CC(C3(CO3)C(CO)O)O)CCC=C2C)C)O |
| InChIKey | PDPQILPMCDOHDB-UHFFFAOYSA-N |
Product Overview
Spirocardin B (CAS 6326-02-9), with molecular formula C20H32O6 and molecular weight 368.22 g/mol. IUPAC: 4-[2-[2-(1,2-dihydroxyethyl)oxiran-2-yl]-2-hydroxyethyl]-2-hydroxy-3,4,8,8a-tetramethyl-3,4a,5,6-tetrahydro-2H-naphthalen-1-one.
Chemical Property Profile of Spirocardin B
Property Insights of Spirocardin B
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spirocardin B. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Spirocardin B. Following Lipinski's Rule of Five, Spirocardin B has 4 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 B?
The CAS number of Spirocardin B is 6326-02-9.
What is the molecular formula of Spirocardin B?
The molecular formula of Spirocardin B is C20H32O6.
What is the molecular weight of Spirocardin B?
The molecular weight of Spirocardin B is 368.22 g/mol.
Where can I buy Spirocardin B?
You can request a quote for Spirocardin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spirocardin B?
Yes, KEHONG BIO provides custom synthesis services for Spirocardin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.