CTK8E7112
TL;DR: CTK8E7112 (CAS 956253-63-7) is a chemical compound with molecular formula C22H29NO9 and molecular weight 451.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-(2,5-dimethylphenoxy)oxan-2-yl]methyl acetate
Also Known As: Phenylethyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranoside, AF-399/41692660, [(2R,3S,4R,5R,6S)-3,4-bis(acetyloxy)-6-(2,5-dimethylphenoxy)-5-acetamidooxan-2-yl]methyl acetate, [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-(2,5-dimethylphenoxy)oxan-2-yl]methyl acetate, 3-(acetylamino)-5-(acetyloxy)-6-[(acetyloxy)methyl]-2-(2,5-dimethylphenoxy)tetrahydro-2H-pyran-4-yl acetate
| Molecular Formula | C22H29NO9 |
|---|---|
| Molecular Weight | 451.18 g/mol |
| LogP | 1.33834 |
| Topological Polar Surface Area | 126.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.18423 |
| Heavy Atoms | 32 |
| Complexity | 868.9575 |
Chemical Identifiers
| CAS Number | 956253-63-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C |
Product Overview
CTK8E7112 (CAS 956253-63-7), with molecular formula C22H29NO9 and molecular weight 451.18 g/mol. IUPAC: [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-(2,5-dimethylphenoxy)oxan-2-yl]methyl acetate.
Chemical Property Profile of CTK8E7112
Property Insights of CTK8E7112
The XLogP value of 1.33834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK8E7112. The TPSA of 126.46 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK8E7112. Following Lipinski's Rule of Five, CTK8E7112 has 1 hydrogen bond donor(s) and 9 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 CTK8E7112?
The CAS number of CTK8E7112 is 956253-63-7.
What is the molecular formula of CTK8E7112?
The molecular formula of CTK8E7112 is C22H29NO9.
What is the molecular weight of CTK8E7112?
The molecular weight of CTK8E7112 is 451.18 g/mol.
Where can I buy CTK8E7112?
You can request a quote for CTK8E7112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK8E7112?
Yes, KEHONG BIO provides custom synthesis services for CTK8E7112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.