![4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-butyric acid structure](/static/products/3374/337482-93-6.webp)
4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-butyric acid
TL;DR: 4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-butyric acid (CAS 337482-93-6) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylamino)-5-oxopentanoic acid
Also Known As: pimobendan, 4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-butyric acid, BAS 01299766, 5-(1,3-benzodioxol-5-ylamino)-5-oxopentanoic acid, 5-(benzo[d][1,3]dioxol-5-ylamino)-5-oxopentanoic acid
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 337482-93-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CCCC(=O)O |
| InChIKey | YGFNTNYDYCLKCD-UHFFFAOYSA-N |
Product Overview
4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-butyric acid (CAS 337482-93-6), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylamino)-5-oxopentanoic acid.
Chemical Property Profile of 4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-butyric acid
Property Insights of 4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-butyric acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-butyric acid. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-butyric acid. Following Lipinski's Rule of Five, 4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-butyric acid 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 4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-butyric acid?
The CAS number of 4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-butyric acid is 337482-93-6.
What is the molecular formula of 4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-butyric acid?
The molecular formula of 4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-butyric acid is C12H13NO5.
What is the molecular weight of 4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-butyric acid?
The molecular weight of 4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-butyric acid is 251.08 g/mol.
Where can I buy 4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-butyric acid?
You can request a quote for 4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.