Erinacine B
TL;DR: Erinacine B (CAS 156101-08-5) is a chemical compound with molecular formula C25H36O6 and molecular weight 432.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17,18-dihydroxy-2,5-dimethyl-8-propan-2-yl-15,20,22-trioxapentacyclo[12.8.0.02,10.05,9.016,21]docosa-8,12-diene-13-carbaldehyde
Also Known As: Erinacine B, (+)-Erinacin A, 17,18-Dihydroxy-2,5-dimethyl-8-propan-2-yl-15,20,22-trioxapentacyclo[12.8.0.02,10.05,9.016,21]docosa-8,12-diene-13-carbaldehyde
| Molecular Formula | C25H36O6 |
|---|---|
| Molecular Weight | 432.25 g/mol |
| LogP | 2.9151 |
| Topological Polar Surface Area | 85.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 432.2512 |
| Heavy Atoms | 31 |
| Complexity | 816.82983 |
Chemical Identifiers
| CAS Number | 156101-08-5 |
|---|---|
| SMILES | CC(C)C1=C2C3CC=C(C4C(C3(CCC2(CC1)C)C)OC5C(O4)C(C(CO5)O)O)C=O |
Product Overview
Erinacine B (CAS 156101-08-5), with molecular formula C25H36O6 and molecular weight 432.25 g/mol. IUPAC: 17,18-dihydroxy-2,5-dimethyl-8-propan-2-yl-15,20,22-trioxapentacyclo[12.8.0.02,10.05,9.016,21]docosa-8,12-diene-13-carbaldehyde.
Chemical Property Profile of Erinacine B
Property Insights of Erinacine B
The XLogP value of 2.9151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Erinacine B. The TPSA of 85.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Erinacine B. Following Lipinski's Rule of Five, Erinacine B has 2 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 Erinacine B?
The CAS number of Erinacine B is 156101-08-5.
What is the molecular formula of Erinacine B?
The molecular formula of Erinacine B is C25H36O6.
What is the molecular weight of Erinacine B?
The molecular weight of Erinacine B is 432.25 g/mol.
Where can I buy Erinacine B?
You can request a quote for Erinacine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Erinacine B?
Yes, KEHONG BIO provides custom synthesis services for Erinacine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.