螺茄烷
TL;DR: 螺茄烷 (CAS 34471-97-1) is a chemical compound with molecular formula C10H14O5 and molecular weight 214.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
螺茄烷
(1R,2R,3S,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Also Known As: Spirosolane, cantharidic acid, KST-1A4018, (1r,2r,3s,4s)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, (1r,2s,3r,4s)-2,3-Dimethyl-7-Oxabicyclo[2.2.1]heptane-2,3-Dicarboxylic Acid
| Molecular Formula | C10H14O5 |
|---|---|
| Molecular Weight | 214.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.08412 |
| Heavy Atoms | 15 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 34471-97-1 |
|---|---|
| SMILES | C[C@@]1([C@H]2CC[C@@H]([C@@]1(C)C(=O)O)O2)C(=O)O |
| InChIKey | NMTNUQBORQILRK-YUMGAWCOSA-N |
Product Overview
螺茄烷 (CAS 34471-97-1), with molecular formula C10H14O5 and molecular weight 214.08 g/mol. IUPAC: (1R,2R,3S,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid.
Chemical Property Profile of 螺茄烷
Property Insights of 螺茄烷
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 螺茄烷. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 螺茄烷. Following Lipinski's Rule of Five, 螺茄烷 has 2 hydrogen bond donor(s) and 5 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 螺茄烷?
The CAS number of 螺茄烷 is 34471-97-1.
What is the molecular formula of 螺茄烷?
The molecular formula of 螺茄烷 is C10H14O5.
What is the molecular weight of 螺茄烷?
The molecular weight of 螺茄烷 is 214.08 g/mol.
Where can I buy 螺茄烷?
You can request a quote for 螺茄烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 螺茄烷?
Yes, KEHONG BIO provides custom synthesis services for 螺茄烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.