6,6-Dimethyl-2-erythrofuranosyl-4,5,6,7-tetrahydroindol-4-one
TL;DR: 6,6-Dimethyl-2-erythrofuranosyl-4,5,6,7-tetrahydroindol-4-one (CAS 97590-40-4) is a chemical compound with molecular formula C15H21NO4 and molecular weight 279.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
Also Known As: EDTO, D,L-Buthionine-S,R-sulfoximine, DL-Buthionine-(S,R)-sulfoximine, KST-1A9193, 1-beta-DL-Buthionine(S,R)sulfoximine
| Molecular Formula | C15H21NO4 |
|---|---|
| Molecular Weight | 279.15 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.14706 |
| Heavy Atoms | 20 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 97590-40-4 |
|---|---|
| SMILES | CC1(CC2=C(C=C(N2)C3C[C@@H]([C@H](O3)CO)O)C(=O)C1)C |
| InChIKey | DJXHAOJEKJPRBN-JDZGAICCSA-N |
Product Overview
6,6-Dimethyl-2-erythrofuranosyl-4,5,6,7-tetrahydroindol-4-one (CAS 97590-40-4), with molecular formula C15H21NO4 and molecular weight 279.15 g/mol. IUPAC: 2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one.
Chemical Property Profile of 6,6-Dimethyl-2-erythrofuranosyl-4,5,6,7-tetrahydroindol-4-one
Property Insights of 6,6-Dimethyl-2-erythrofuranosyl-4,5,6,7-tetrahydroindol-4-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6-Dimethyl-2-erythrofuranosyl-4,5,6,7-tetrahydroindol-4-one. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,6-Dimethyl-2-erythrofuranosyl-4,5,6,7-tetrahydroindol-4-one. Following Lipinski's Rule of Five, 6,6-Dimethyl-2-erythrofuranosyl-4,5,6,7-tetrahydroindol-4-one has 3 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 6,6-Dimethyl-2-erythrofuranosyl-4,5,6,7-tetrahydroindol-4-one?
The CAS number of 6,6-Dimethyl-2-erythrofuranosyl-4,5,6,7-tetrahydroindol-4-one is 97590-40-4.
What is the molecular formula of 6,6-Dimethyl-2-erythrofuranosyl-4,5,6,7-tetrahydroindol-4-one?
The molecular formula of 6,6-Dimethyl-2-erythrofuranosyl-4,5,6,7-tetrahydroindol-4-one is C15H21NO4.
What is the molecular weight of 6,6-Dimethyl-2-erythrofuranosyl-4,5,6,7-tetrahydroindol-4-one?
The molecular weight of 6,6-Dimethyl-2-erythrofuranosyl-4,5,6,7-tetrahydroindol-4-one is 279.15 g/mol.
Where can I buy 6,6-Dimethyl-2-erythrofuranosyl-4,5,6,7-tetrahydroindol-4-one?
You can request a quote for 6,6-Dimethyl-2-erythrofuranosyl-4,5,6,7-tetrahydroindol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6-Dimethyl-2-erythrofuranosyl-4,5,6,7-tetrahydroindol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6,6-Dimethyl-2-erythrofuranosyl-4,5,6,7-tetrahydroindol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.