Erinacine D
TL;DR: Erinacine D (CAS 157397-40-5) is a chemical compound with molecular formula C27H42O7 and molecular weight 478.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-ethoxy-3a,5a-dimethyl-1-propan-2-yl-6-(3,4,5-trihydroxyoxan-2-yl)oxy-2,3,4,5,6,9,10,10a-octahydrocyclohepta[e]indene-8-carbaldehyde
Also Known As: Erinacine D, 9-ethoxy-3a,5a-dimethyl-1-propan-2-yl-6-(3,4,5-trihydroxyoxan-2-yl)oxy-2,3,4,5,6,9,10,10a-octahydrocyclohepta[e]indene-8-carbaldehyde
| Molecular Formula | C27H42O7 |
|---|---|
| Molecular Weight | 478.29 g/mol |
| LogP | 2.9137 |
| Topological Polar Surface Area | 105.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.29306 |
| Heavy Atoms | 34 |
| Complexity | 834.83527 |
Chemical Identifiers
| CAS Number | 157397-40-5 |
|---|---|
| SMILES | CCOC1CC2C3=C(CCC3(CCC2(C(C=C1C=O)OC4C(C(C(CO4)O)O)O)C)C)C(C)C |
Product Overview
Erinacine D (CAS 157397-40-5), with molecular formula C27H42O7 and molecular weight 478.29 g/mol. IUPAC: 9-ethoxy-3a,5a-dimethyl-1-propan-2-yl-6-(3,4,5-trihydroxyoxan-2-yl)oxy-2,3,4,5,6,9,10,10a-octahydrocyclohepta[e]indene-8-carbaldehyde.
Chemical Property Profile of Erinacine D
Property Insights of Erinacine D
The XLogP value of 2.9137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Erinacine D. The TPSA of 105.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Erinacine D. Following Lipinski's Rule of Five, Erinacine D has 3 hydrogen bond donor(s) and 7 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 D?
The CAS number of Erinacine D is 157397-40-5.
What is the molecular formula of Erinacine D?
The molecular formula of Erinacine D is C27H42O7.
What is the molecular weight of Erinacine D?
The molecular weight of Erinacine D is 478.29 g/mol.
Where can I buy Erinacine D?
You can request a quote for Erinacine D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Erinacine D?
Yes, KEHONG BIO provides custom synthesis services for Erinacine D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.