Obscurinervidine
TL;DR: Obscurinervidine (CAS 7168-67-4) is a chemical compound with molecular formula C24H28N2O5 and molecular weight 424.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
21,22-dimethoxy-17-methyl-12,19-dioxa-5,16-diazaheptacyclo[14.7.1.12,5.02,15.09,13.020,24.09,25]pentacosa-1(23),7,20(24),21-tetraen-11-one
Also Known As: Obscurinervidine, (+-)-Obscurinervidine, (.+/-.)-Obscurinervidine, Obscurinervan-21-one, 6,7-didehydro-15,16-dimethoxy-22-methyl-, (22.alpha.)-, Obscurinervan-21-one, 6,7-didehydro-15,16-dimethoxy-22-methyl-, (22alpha)-
| Molecular Formula | C24H28N2O5 |
|---|---|
| Molecular Weight | 424.20 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 424.19983 |
| Heavy Atoms | 31 |
| Complexity | 835.0 |
Chemical Identifiers
| CAS Number | 7168-67-4 |
|---|---|
| SMILES | CC1COC2=C3N1C4CC5C6(CC(=O)O5)C=CCN7C6C4(C3=CC(=C2OC)OC)CC7 |
| InChIKey | DTJNFCUPFGKVAV-UHFFFAOYSA-N |
Product Overview
Obscurinervidine (CAS 7168-67-4), with molecular formula C24H28N2O5 and molecular weight 424.20 g/mol. IUPAC: 21,22-dimethoxy-17-methyl-12,19-dioxa-5,16-diazaheptacyclo[14.7.1.12,5.02,15.09,13.020,24.09,25]pentacosa-1(23),7,20(24),21-tetraen-11-one.
Chemical Property Profile of Obscurinervidine
Property Insights of Obscurinervidine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Obscurinervidine. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Obscurinervidine. Following Lipinski's Rule of Five, Obscurinervidine 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 Obscurinervidine?
The CAS number of Obscurinervidine is 7168-67-4.
What is the molecular formula of Obscurinervidine?
The molecular formula of Obscurinervidine is C24H28N2O5.
What is the molecular weight of Obscurinervidine?
The molecular weight of Obscurinervidine is 424.20 g/mol.
Where can I buy Obscurinervidine?
You can request a quote for Obscurinervidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Obscurinervidine?
Yes, KEHONG BIO provides custom synthesis services for Obscurinervidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.