(2R,3S)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide
TL;DR: (2R,3S)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide (CAS 17397-89-6) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S)-3-nona-4,7-dienoyloxirane-2-carboxamide
Also Known As: cerulenin, Helicocerin, KBio2_000616, KBio2_003184, KBio2_005752
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 320.0 |
| Melting Point | 93.5 °C |
| Solubility | 1.60e+00 g/L |
Chemical Identifiers
| CAS Number | 17397-89-6 |
|---|---|
| SMILES | CC=CCC=CCCC(=O)[C@@H]1[C@@H](O1)C(=O)N |
| InChIKey | GVEZIHKRYBHEFX-GHMZBOCLSA-N |
Product Overview
(2R,3S)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide (CAS 17397-89-6), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: (2R,3S)-3-nona-4,7-dienoyloxirane-2-carboxamide.
Chemical Property Profile of (2R,3S)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide
Property Insights of (2R,3S)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R,3S)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R,3S)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide. Following Lipinski's Rule of Five, (2R,3S)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide 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 (2R,3S)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide?
The CAS number of (2R,3S)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide is 17397-89-6.
What is the molecular formula of (2R,3S)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide?
The molecular formula of (2R,3S)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide is C12H17NO3.
What is the molecular weight of (2R,3S)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide?
The molecular weight of (2R,3S)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide is 223.12 g/mol.
Where can I buy (2R,3S)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide?
You can request a quote for (2R,3S)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,3S)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for (2R,3S)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.