1-脱氧-2β,3β-环氧那吉内酯A
TL;DR: 1-脱氧-2β,3β-环氧那吉内酯A (CAS 70469-55-5) is a chemical compound with molecular formula C19H22O6 and molecular weight 346.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-脱氧-2β,3β-环氧那吉内酯A
8-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10,14-trioxapentacyclo[7.7.1.02,7.012,17.013,15]heptadeca-2,6-diene-4,11-dione
Also Known As: 1-Deoxy-2beta,3beta-epoxynagilactone A, 2H,7H-Furo(2',3',4':4,5)oxireno(6,7)naphtho(2,1-c)pyran-2,7-dione, 1a,1b,3a,4,8b,8c,9,9a-octahydro-4-hydroxy-1b,8b-dimethyl-5-(1-methylethyl)-, (1aS-(1aalpha,1bbeta,3abeta,4alpha,8balpha,8cbeta,9aalpha))-, 2H,7H-Furo(2',3',4':4,5)oxireno(6,7)naphtho(2,1-c)pyran-2,7-dione,1a,1b,3a,4,8b,8c,9,9a-octahydro-4-hydroxy-1b,8b-dimethyl-5-(1-methylethyl)-, (1aR-(1aalpha,1balpha,3alpha,4beta,8bbeta,8calpha,9aalpha))-, 4-Hydroxy-1b,8b-dimethyl-5-(propan-2-yl)-1a,1b,3a,4,8b,8c,9,9a-octahydro-2H,7H-furo[2',3',4':4,5]oxireno[6,7]naphtho[2,1-c]pyran-2,7-dione
| Molecular Formula | C19H22O6 |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 85.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.14163 |
| Heavy Atoms | 25 |
| Complexity | 779.0 |
Chemical Identifiers
| CAS Number | 70469-55-5 |
|---|---|
| SMILES | CC(C)C1=C2C(C3C4C(C2=CC(=O)O1)(CC5C(C4(C(=O)O3)C)O5)C)O |
| InChIKey | ACXQJXRUXSASPM-UHFFFAOYSA-N |
Product Overview
1-脱氧-2β,3β-环氧那吉内酯A (CAS 70469-55-5), with molecular formula C19H22O6 and molecular weight 346.14 g/mol. IUPAC: 8-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10,14-trioxapentacyclo[7.7.1.02,7.012,17.013,15]heptadeca-2,6-diene-4,11-dione.
Chemical Property Profile of 1-脱氧-2β,3β-环氧那吉内酯A
Property Insights of 1-脱氧-2β,3β-环氧那吉内酯A
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-脱氧-2β,3β-环氧那吉内酯A. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-脱氧-2β,3β-环氧那吉内酯A. Following Lipinski's Rule of Five, 1-脱氧-2β,3β-环氧那吉内酯A has 1 hydrogen bond donor(s) and 6 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 1-脱氧-2β,3β-环氧那吉内酯A?
The CAS number of 1-脱氧-2β,3β-环氧那吉内酯A is 70469-55-5.
What is the molecular formula of 1-脱氧-2β,3β-环氧那吉内酯A?
The molecular formula of 1-脱氧-2β,3β-环氧那吉内酯A is C19H22O6.
What is the molecular weight of 1-脱氧-2β,3β-环氧那吉内酯A?
The molecular weight of 1-脱氧-2β,3β-环氧那吉内酯A is 346.14 g/mol.
Where can I buy 1-脱氧-2β,3β-环氧那吉内酯A?
You can request a quote for 1-脱氧-2β,3β-环氧那吉内酯A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-脱氧-2β,3β-环氧那吉内酯A?
Yes, KEHONG BIO provides custom synthesis services for 1-脱氧-2β,3β-环氧那吉内酯A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.