CTK0H7957
TL;DR: CTK0H7957 (CAS 1405-19-2) is a chemical compound with molecular formula C20H22O7 and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4R,5R,9aR,9bS)-4,9a-dihydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,9b-tetrahydroazuleno[4,5-b]furan-5-yl] 2-methylbut-2-enoate
Also Known As: 2-Butenoic acid, 2-methyl-, (3aR,4R,5R,9aR,9bS)-2,3,3a,4,5,7,9a,9b-octahydro-4,9a-dihydroxy-6,9-dimethyl-3-methylene-2,7-dioxoazuleno[4,5-b]furan-5-yl ester, (2Z)-
| Molecular Formula | C20H22O7 |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.13657 |
| Heavy Atoms | 27 |
| Complexity | 860.0 |
Chemical Identifiers
| CAS Number | 1405-19-2 |
|---|---|
| SMILES | CC=C(C)C(=O)O[C@H]1[C@@H]([C@@H]2[C@@H]([C@]3(C(=CC(=O)C3=C1C)C)O)OC(=O)C2=C)O |
| InChIKey | SLZLXIXUYNEOBA-ZHKLBRLOSA-N |
Product Overview
CTK0H7957 (CAS 1405-19-2), with molecular formula C20H22O7 and molecular weight 374.14 g/mol. IUPAC: [(3aR,4R,5R,9aR,9bS)-4,9a-dihydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,9b-tetrahydroazuleno[4,5-b]furan-5-yl] 2-methylbut-2-enoate.
Chemical Property Profile of CTK0H7957
Property Insights of CTK0H7957
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK0H7957. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK0H7957. Following Lipinski's Rule of Five, CTK0H7957 has 2 hydrogen bond donor(s) and 7 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 CTK0H7957?
The CAS number of CTK0H7957 is 1405-19-2.
What is the molecular formula of CTK0H7957?
The molecular formula of CTK0H7957 is C20H22O7.
What is the molecular weight of CTK0H7957?
The molecular weight of CTK0H7957 is 374.14 g/mol.
Where can I buy CTK0H7957?
You can request a quote for CTK0H7957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK0H7957?
Yes, KEHONG BIO provides custom synthesis services for CTK0H7957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.