Erinacin B
TL;DR: Erinacin B (CAS 156101-10-9) 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.
(1R,2R,5R,10R,14R,16R,17S,18R,21S)-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: Erinacin B, Erinacine B, (-)-Erinacine B, Erinacine BErinacin B, HY-N12566
| 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 | 156101-10-9 |
|---|---|
| SMILES | CC(C)C1=C2[C@H]3CC=C([C@@H]4[C@@H]([C@@]3(CC[C@]2(CC1)C)C)O[C@H]5[C@H](O4)[C@H]([C@@H](CO5)O)O)C=O |
Product Overview
Erinacin B (CAS 156101-10-9), with molecular formula C25H36O6 and molecular weight 432.25 g/mol. IUPAC: (1R,2R,5R,10R,14R,16R,17S,18R,21S)-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 Erinacin B
Property Insights of Erinacin B
The XLogP value of 2.9151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Erinacin B. The TPSA of 85.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Erinacin B. Following Lipinski's Rule of Five, Erinacin 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 Erinacin B?
The CAS number of Erinacin B is 156101-10-9.
What is the molecular formula of Erinacin B?
The molecular formula of Erinacin B is C25H36O6.
What is the molecular weight of Erinacin B?
The molecular weight of Erinacin B is 432.25 g/mol.
Where can I buy Erinacin B?
You can request a quote for Erinacin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Erinacin B?
Yes, KEHONG BIO provides custom synthesis services for Erinacin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.