![4-(苯并[d][1,3]二氧杂环戊烯-5-基)-3-甲基丁酸 structure](/static/products/902/902274-15-1.png)
4-(苯并[d][1,3]二氧杂环戊烯-5-基)-3-甲基丁酸
TL;DR: 4-(苯并[d][1,3]二氧杂环戊烯-5-基)-3-甲基丁酸 (CAS 902274-15-1) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(苯并[d][1,3]二氧杂环戊烯-5-基)-3-甲基丁酸
4-(1,3-benzodioxol-5-yl)-3-methylbutanoic acid
Also Known As: 4-(1,3-benzodioxol-5-yl)-3-methylbutanoic acid, 4-(benzo[d][1,3]dioxol-5-yl)-3-methylbutanoic acid
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 902274-15-1 |
|---|---|
| SMILES | CC(CC1=CC2=C(C=C1)OCO2)CC(=O)O |
| InChIKey | QCIUIFDTJVPNHU-UHFFFAOYSA-N |
Product Overview
4-(苯并[d][1,3]二氧杂环戊烯-5-基)-3-甲基丁酸 (CAS 902274-15-1), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-3-methylbutanoic acid.
Chemical Property Profile of 4-(苯并[d][1,3]二氧杂环戊烯-5-基)-3-甲基丁酸
Property Insights of 4-(苯并[d][1,3]二氧杂环戊烯-5-基)-3-甲基丁酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(苯并[d][1,3]二氧杂环戊烯-5-基)-3-甲基丁酸. With a topological polar surface area (TPSA) of 55.8 Ų, 4-(苯并[d][1,3]二氧杂环戊烯-5-基)-3-甲基丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(苯并[d][1,3]二氧杂环戊烯-5-基)-3-甲基丁酸 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-(苯并[d][1,3]二氧杂环戊烯-5-基)-3-甲基丁酸?
The CAS number of 4-(苯并[d][1,3]二氧杂环戊烯-5-基)-3-甲基丁酸 is 902274-15-1.
What is the molecular formula of 4-(苯并[d][1,3]二氧杂环戊烯-5-基)-3-甲基丁酸?
The molecular formula of 4-(苯并[d][1,3]二氧杂环戊烯-5-基)-3-甲基丁酸 is C12H14O4.
What is the molecular weight of 4-(苯并[d][1,3]二氧杂环戊烯-5-基)-3-甲基丁酸?
The molecular weight of 4-(苯并[d][1,3]二氧杂环戊烯-5-基)-3-甲基丁酸 is 222.09 g/mol.
Where can I buy 4-(苯并[d][1,3]二氧杂环戊烯-5-基)-3-甲基丁酸?
You can request a quote for 4-(苯并[d][1,3]二氧杂环戊烯-5-基)-3-甲基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(苯并[d][1,3]二氧杂环戊烯-5-基)-3-甲基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(苯并[d][1,3]二氧杂环戊烯-5-基)-3-甲基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.