5-羟基-3,4-二氢萘-1,8-碳内酯
TL;DR: 5-羟基-3,4-二氢萘-1,8-碳内酯 (CAS 105290-46-8) is a chemical compound with molecular formula C11H8O3 and molecular weight 188.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-羟基-3,4-二氢萘-1,8-碳内酯
9-hydroxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraen-3-one
Also Known As: 5-Hydroxy-3,4-dihydronaphthalene-1,8-carbolactone, Sid 753206, hydroxy-5 dihydro-3,4 naphtalene carbolactone-1,8, 6-Hydroxy-4,5-dihydro-2H-naphtho[1,8-bc]furan-2-one, 2H-Naphthol(1,8-bc)furan-2-one, 4,5-dihydro-6-hydroxy-
| Molecular Formula | C11H8O3 |
|---|---|
| Molecular Weight | 188.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.04735 |
| Heavy Atoms | 14 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 105290-46-8 |
|---|---|
| SMILES | C1CC2=C(C=CC3=C2C(=C1)C(=O)O3)O |
| InChIKey | FIGAANRGYUFDRO-UHFFFAOYSA-N |
Product Overview
5-羟基-3,4-二氢萘-1,8-碳内酯 (CAS 105290-46-8), with molecular formula C11H8O3 and molecular weight 188.05 g/mol. IUPAC: 9-hydroxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraen-3-one.
Chemical Property Profile of 5-羟基-3,4-二氢萘-1,8-碳内酯
Property Insights of 5-羟基-3,4-二氢萘-1,8-碳内酯
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-羟基-3,4-二氢萘-1,8-碳内酯. With a topological polar surface area (TPSA) of 46.5 Ų, 5-羟基-3,4-二氢萘-1,8-碳内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-羟基-3,4-二氢萘-1,8-碳内酯 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 5-羟基-3,4-二氢萘-1,8-碳内酯?
The CAS number of 5-羟基-3,4-二氢萘-1,8-碳内酯 is 105290-46-8.
What is the molecular formula of 5-羟基-3,4-二氢萘-1,8-碳内酯?
The molecular formula of 5-羟基-3,4-二氢萘-1,8-碳内酯 is C11H8O3.
What is the molecular weight of 5-羟基-3,4-二氢萘-1,8-碳内酯?
The molecular weight of 5-羟基-3,4-二氢萘-1,8-碳内酯 is 188.05 g/mol.
Where can I buy 5-羟基-3,4-二氢萘-1,8-碳内酯?
You can request a quote for 5-羟基-3,4-二氢萘-1,8-碳内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-羟基-3,4-二氢萘-1,8-碳内酯?
Yes, KEHONG BIO provides custom synthesis services for 5-羟基-3,4-二氢萘-1,8-碳内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.