Oxiranecarboxylic acid, 3-nonyl-, (2S-trans)-
TL;DR: Oxiranecarboxylic acid, 3-nonyl-, (2S-trans)- (CAS 148407-41-4) is a chemical compound with molecular formula C12H22O3 and molecular weight 214.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R)-3-nonyloxirane-2-carboxylic acid
Also Known As: (2S-trans)-Epoxydodecenoic acid, Oxiranecarboxylic acid, 3-nonyl-, (2S-trans)-, 2-chloro-5-chloromethylpyrimidine, (2S,3R)-3-nonyloxirane-2-carboxylic acid, 2-Oxiranecarboxylicacid, 3-nonyl-, (2S,3R)-
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 148407-41-4 |
|---|---|
| SMILES | CCCCCCCCC[C@@H]1[C@H](O1)C(=O)O |
| InChIKey | GKFRIEODGWKPMO-MNOVXSKESA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxiranecarboxylic acid, 3-nonyl-, (2S-trans)- (CAS 148407-41-4), with molecular formula C12H22O3 and molecular weight 214.16 g/mol. IUPAC: (2S,3R)-3-nonyloxirane-2-carboxylic acid.
Chemical Property Profile of Oxiranecarboxylic acid, 3-nonyl-, (2S-trans)-
Property Insights of Oxiranecarboxylic acid, 3-nonyl-, (2S-trans)-
The XLogP value of 4.0 indicates that Oxiranecarboxylic acid, 3-nonyl-, (2S-trans)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Oxiranecarboxylic acid, 3-nonyl-, (2S-trans)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxiranecarboxylic acid, 3-nonyl-, (2S-trans)- has 1 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 Oxiranecarboxylic acid, 3-nonyl-, (2S-trans)-?
The CAS number of Oxiranecarboxylic acid, 3-nonyl-, (2S-trans)- is 148407-41-4.
What is the molecular formula of Oxiranecarboxylic acid, 3-nonyl-, (2S-trans)-?
The molecular formula of Oxiranecarboxylic acid, 3-nonyl-, (2S-trans)- is C12H22O3.
What is the molecular weight of Oxiranecarboxylic acid, 3-nonyl-, (2S-trans)-?
The molecular weight of Oxiranecarboxylic acid, 3-nonyl-, (2S-trans)- is 214.16 g/mol.
Where can I buy Oxiranecarboxylic acid, 3-nonyl-, (2S-trans)-?
You can request a quote for Oxiranecarboxylic acid, 3-nonyl-, (2S-trans)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxiranecarboxylic acid, 3-nonyl-, (2S-trans)-?
Yes, KEHONG BIO provides custom synthesis services for Oxiranecarboxylic acid, 3-nonyl-, (2S-trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.