Hexahydro-4,7-epoxy-1H-indene-3a,7a-dicarboxylic acid, (3a-alpha,4-alpha,7-alpha,7a-alpha)-
TL;DR: Hexahydro-4,7-epoxy-1H-indene-3a,7a-dicarboxylic acid, (3a-alpha,4-alpha,7-alpha,7a-alpha)- (CAS 127311-85-7) is a chemical compound with molecular formula C11H14O5 and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,6R,7S)-10-oxatricyclo[5.2.1.02,6]decane-2,6-dicarboxylic acid
Also Known As: Hexahydro-4,7-epoxy-1H-indene-3a,7a-dicarboxylic acid, (3a-alpha,4-alpha,7-alpha,7a-alpha)-, 4,7-Epoxy-1H-indene-3a,7a-dicarboxylic acid, hexahydro-, (3a-alpha,4-alpha,7-alpha,7a-alpha)-, [1-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol, Hexahydro-4,7-epoxy-1H-indene-3a,7a-dicarboxylic acid, (3a-,4-,7-,7a-)-, RefChem:1069558
| Molecular Formula | C11H14O5 |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 0.8735 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.08412 |
| Heavy Atoms | 16 |
| Complexity | 344.5712 |
Chemical Identifiers
| CAS Number | 127311-85-7 |
|---|---|
| SMILES | C1C[C@]2([C@H]3CC[C@@H]([C@]2(C1)C(=O)O)O3)C(=O)O |
Product Overview
Hexahydro-4,7-epoxy-1H-indene-3a,7a-dicarboxylic acid, (3a-alpha,4-alpha,7-alpha,7a-alpha)- (CAS 127311-85-7), with molecular formula C11H14O5 and molecular weight 226.08 g/mol. IUPAC: (1R,2S,6R,7S)-10-oxatricyclo[5.2.1.02,6]decane-2,6-dicarboxylic acid.
Chemical Property Profile of Hexahydro-4,7-epoxy-1H-indene-3a,7a-dicarboxylic acid, (3a-alpha,4-alpha,7-alpha,7a-alpha)-
Property Insights of Hexahydro-4,7-epoxy-1H-indene-3a,7a-dicarboxylic acid, (3a-alpha,4-alpha,7-alpha,7a-alpha)-
The XLogP value of 0.8735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydro-4,7-epoxy-1H-indene-3a,7a-dicarboxylic acid, (3a-alpha,4-alpha,7-alpha,7a-alpha)-. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexahydro-4,7-epoxy-1H-indene-3a,7a-dicarboxylic acid, (3a-alpha,4-alpha,7-alpha,7a-alpha)-. Following Lipinski's Rule of Five, Hexahydro-4,7-epoxy-1H-indene-3a,7a-dicarboxylic acid, (3a-alpha,4-alpha,7-alpha,7a-alpha)- has 2 hydrogen bond donor(s) and 3 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 Hexahydro-4,7-epoxy-1H-indene-3a,7a-dicarboxylic acid, (3a-alpha,4-alpha,7-alpha,7a-alpha)-?
The CAS number of Hexahydro-4,7-epoxy-1H-indene-3a,7a-dicarboxylic acid, (3a-alpha,4-alpha,7-alpha,7a-alpha)- is 127311-85-7.
What is the molecular formula of Hexahydro-4,7-epoxy-1H-indene-3a,7a-dicarboxylic acid, (3a-alpha,4-alpha,7-alpha,7a-alpha)-?
The molecular formula of Hexahydro-4,7-epoxy-1H-indene-3a,7a-dicarboxylic acid, (3a-alpha,4-alpha,7-alpha,7a-alpha)- is C11H14O5.
What is the molecular weight of Hexahydro-4,7-epoxy-1H-indene-3a,7a-dicarboxylic acid, (3a-alpha,4-alpha,7-alpha,7a-alpha)-?
The molecular weight of Hexahydro-4,7-epoxy-1H-indene-3a,7a-dicarboxylic acid, (3a-alpha,4-alpha,7-alpha,7a-alpha)- is 226.08 g/mol.
Where can I buy Hexahydro-4,7-epoxy-1H-indene-3a,7a-dicarboxylic acid, (3a-alpha,4-alpha,7-alpha,7a-alpha)-?
You can request a quote for Hexahydro-4,7-epoxy-1H-indene-3a,7a-dicarboxylic acid, (3a-alpha,4-alpha,7-alpha,7a-alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-4,7-epoxy-1H-indene-3a,7a-dicarboxylic acid, (3a-alpha,4-alpha,7-alpha,7a-alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-4,7-epoxy-1H-indene-3a,7a-dicarboxylic acid, (3a-alpha,4-alpha,7-alpha,7a-alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.