Nirtetralin
TL;DR: Nirtetralin (CAS 78185-63-4) is a chemical compound with molecular formula C24H30O7 and molecular weight 430.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,6S,7S)-5-(3,4-dimethoxyphenyl)-4-methoxy-6,7-bis(methoxymethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole
Also Known As: Nirtetralin, (+-)-Nirtetralin, ( -)-Nirtetralin, (? currency)-Nirtetralin, ( inverted exclamation markA)-Nirtetralin
| Molecular Formula | C24H30O7 |
|---|---|
| Molecular Weight | 430.20 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 430.19916 |
| Heavy Atoms | 31 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 78185-63-4 |
|---|---|
| SMILES | COC[C@H]1CC2=CC3=C(C(=C2[C@H]([C@@H]1COC)C4=CC(=C(C=C4)OC)OC)OC)OCO3 |
| InChIKey | LHQDZANQXMRHIV-LZJOCLMNSA-N |
Product Overview
Nirtetralin (CAS 78185-63-4), with molecular formula C24H30O7 and molecular weight 430.20 g/mol. IUPAC: (5R,6S,7S)-5-(3,4-dimethoxyphenyl)-4-methoxy-6,7-bis(methoxymethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole.
Chemical Property Profile of Nirtetralin
Property Insights of Nirtetralin
The XLogP value of 3.6 indicates that Nirtetralin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Nirtetralin. Following Lipinski's Rule of Five, Nirtetralin has 0 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 Nirtetralin?
The CAS number of Nirtetralin is 78185-63-4.
What is the molecular formula of Nirtetralin?
The molecular formula of Nirtetralin is C24H30O7.
What is the molecular weight of Nirtetralin?
The molecular weight of Nirtetralin is 430.20 g/mol.
Where can I buy Nirtetralin?
You can request a quote for Nirtetralin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nirtetralin?
Yes, KEHONG BIO provides custom synthesis services for Nirtetralin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.