4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (4-nitrophenyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)-
TL;DR: 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (4-nitrophenyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)- (CAS 1194-97-4) is a chemical compound with molecular formula C18H21NO4 and molecular weight 315.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl (1S,2R,6R,7R)-tricyclo[5.2.1.02,6]decane-2-carboxylate
Also Known As: 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (4-nitrophenyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)-, 4-nitrobenzyl(3ar,4s,7r,7ar)-octahydro-3ah-4,7-methanoindene-3a-carboxylate, (4-Nitrophenyl)methyl octahydro-3aH-4,7-methanoindene-3a-carboxylate, (4-Nitrophenyl)methyl (3aR,4S,7R,7aR)-octahydro-3aH-4,7-methanoindene-3a-carboxylate
| Molecular Formula | C18H21NO4 |
|---|---|
| Molecular Weight | 315.15 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.14706 |
| Heavy Atoms | 23 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 1194-97-4 |
|---|---|
| SMILES | C1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C1)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | IGKKJYKAWLNNJH-CXHZTBPHSA-N |
Product Overview
4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (4-nitrophenyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)- (CAS 1194-97-4), with molecular formula C18H21NO4 and molecular weight 315.15 g/mol. IUPAC: (4-nitrophenyl)methyl (1S,2R,6R,7R)-tricyclo[5.2.1.02,6]decane-2-carboxylate.
Chemical Property Profile of 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (4-nitrophenyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)-
Property Insights of 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (4-nitrophenyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)-
The XLogP value of 4.4 indicates that 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (4-nitrophenyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (4-nitrophenyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)-. Following Lipinski's Rule of Five, 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (4-nitrophenyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)- has 0 hydrogen bond donor(s) and 4 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 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (4-nitrophenyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)-?
The CAS number of 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (4-nitrophenyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)- is 1194-97-4.
What is the molecular formula of 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (4-nitrophenyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)-?
The molecular formula of 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (4-nitrophenyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)- is C18H21NO4.
What is the molecular weight of 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (4-nitrophenyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)-?
The molecular weight of 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (4-nitrophenyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)- is 315.15 g/mol.
Where can I buy 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (4-nitrophenyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)-?
You can request a quote for 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (4-nitrophenyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (4-nitrophenyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)-?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (4-nitrophenyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.