(±)-块茎酸
TL;DR: (±)-块茎酸 (CAS 221682-86-6) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(±)-块茎酸
2-[2-[(E)-5-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid
Also Known As: Tuberonic acid, (+/-)-Tuberonic Acid, (+/-)-Tuberonic Acid (~90%), FA 12:3+2O
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 1.3851 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 282.74335 |
Chemical Identifiers
| CAS Number | 221682-86-6 |
|---|---|
| SMILES | C1CC(=O)C(C1CC(=O)O)C/C=C/CCO |
Product Overview
(±)-块茎酸 (CAS 221682-86-6), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: 2-[2-[(E)-5-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid.
Chemical Property Profile of (±)-块茎酸
Property Insights of (±)-块茎酸
The XLogP value of 1.3851 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (±)-块茎酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (±)-块茎酸. Following Lipinski's Rule of Five, (±)-块茎酸 has 2 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 (±)-块茎酸?
The CAS number of (±)-块茎酸 is 221682-86-6.
What is the molecular formula of (±)-块茎酸?
The molecular formula of (±)-块茎酸 is C12H18O4.
What is the molecular weight of (±)-块茎酸?
The molecular weight of (±)-块茎酸 is 226.12 g/mol.
Where can I buy (±)-块茎酸?
You can request a quote for (±)-块茎酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (±)-块茎酸?
Yes, KEHONG BIO provides custom synthesis services for (±)-块茎酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.