![3-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid structure](/static/products/4804/480424-98-4.webp)
3-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid
TL;DR: 3-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid (CAS 480424-98-4) is a chemical compound with molecular formula C16H22BNO5 and molecular weight 319.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]butanoic acid
Also Known As: AMTB909, 4-Oxo-4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)amino)butanoic acid, 4-(Succinylamino)phenylboronic acid pinacol ester, BM066, N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]succinamic acid
| Molecular Formula | C16H22BNO5 |
|---|---|
| Molecular Weight | 319.16 g/mol |
| LogP | 1.7891 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.1591 |
| Heavy Atoms | 23 |
| Complexity | 580.9931 |
Chemical Identifiers
| CAS Number | 480424-98-4 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)CCC(=O)O |
Product Overview
3-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid (CAS 480424-98-4), with molecular formula C16H22BNO5 and molecular weight 319.16 g/mol. IUPAC: 4-oxo-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]butanoic acid.
Chemical Property Profile of 3-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid
Property Insights of 3-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid
The XLogP value of 1.7891 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid. Following Lipinski's Rule of Five, 3-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid has 2 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 3-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid?
The CAS number of 3-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid is 480424-98-4.
What is the molecular formula of 3-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid?
The molecular formula of 3-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid is C16H22BNO5.
What is the molecular weight of 3-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid?
The molecular weight of 3-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid is 319.16 g/mol.
Where can I buy 3-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid?
You can request a quote for 3-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.