4-(仲丁氧基)-4-氧代丁酸
TL;DR: 4-(仲丁氧基)-4-氧代丁酸 (CAS 100405-37-6) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(仲丁氧基)-4-氧代丁酸
4-butan-2-yloxy-4-oxobutanoic acid
Also Known As: 4-(sec-Butoxy)-4-oxobutanoic acid, 4-(sec-Butoxy)-4-oxobutanoicacid, 4-butan-2-yloxy-4-oxobutanoic acid, 4-oxo-4-sec-butoxy-butanoic acid, 4-(butan-2-yloxy)-4-oxobutanoic acid
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 100405-37-6 |
|---|---|
| SMILES | CCC(C)OC(=O)CCC(=O)O |
| InChIKey | QXEKMBCCXWKAON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(仲丁氧基)-4-氧代丁酸 (CAS 100405-37-6), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 4-butan-2-yloxy-4-oxobutanoic acid.
Chemical Property Profile of 4-(仲丁氧基)-4-氧代丁酸
Property Insights of 4-(仲丁氧基)-4-氧代丁酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(仲丁氧基)-4-氧代丁酸. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(仲丁氧基)-4-氧代丁酸. Following Lipinski's Rule of Five, 4-(仲丁氧基)-4-氧代丁酸 has 1 hydrogen bond donor(s) and 4 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 4-(仲丁氧基)-4-氧代丁酸?
The CAS number of 4-(仲丁氧基)-4-氧代丁酸 is 100405-37-6.
What is the molecular formula of 4-(仲丁氧基)-4-氧代丁酸?
The molecular formula of 4-(仲丁氧基)-4-氧代丁酸 is C8H14O4.
What is the molecular weight of 4-(仲丁氧基)-4-氧代丁酸?
The molecular weight of 4-(仲丁氧基)-4-氧代丁酸 is 174.09 g/mol.
Where can I buy 4-(仲丁氧基)-4-氧代丁酸?
You can request a quote for 4-(仲丁氧基)-4-氧代丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(仲丁氧基)-4-氧代丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(仲丁氧基)-4-氧代丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.