3'-(二羟基硼基)琥珀酰苯胺酸
TL;DR: 3'-(二羟基硼基)琥珀酰苯胺酸 (CAS 31754-00-4) is a chemical compound with molecular formula C10H12BNO5 and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-(二羟基硼基)琥珀酰苯胺酸
4-(3-boronoanilino)-4-oxobutanoic acid
Also Known As: 3-(3-Carboxypropionylamino)phenylboronic acid, m-Boronosuccinanilic acid, 3'-Boronosuccinanilic acid, 4-((3-Boronophenyl)amino)-4-oxobutanoic acid, 4-(3-boronoanilino)-4-oxobutanoic acid
| Molecular Formula | C10H12BNO5 |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | -0.8303 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.08086 |
| Heavy Atoms | 17 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 31754-00-4 |
|---|---|
| SMILES | B(C1=CC(=CC=C1)NC(=O)CCC(=O)O)(O)O |
| InChIKey | SVHXAKJLLKGJGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3'-(二羟基硼基)琥珀酰苯胺酸 (CAS 31754-00-4), with molecular formula C10H12BNO5 and molecular weight 237.08 g/mol. IUPAC: 4-(3-boronoanilino)-4-oxobutanoic acid.
Chemical Property Profile of 3'-(二羟基硼基)琥珀酰苯胺酸
Property Insights of 3'-(二羟基硼基)琥珀酰苯胺酸
The XLogP value of -0.8303 indicates that 3'-(二羟基硼基)琥珀酰苯胺酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-(二羟基硼基)琥珀酰苯胺酸. Following Lipinski's Rule of Five, 3'-(二羟基硼基)琥珀酰苯胺酸 has 4 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 3'-(二羟基硼基)琥珀酰苯胺酸?
The CAS number of 3'-(二羟基硼基)琥珀酰苯胺酸 is 31754-00-4.
What is the molecular formula of 3'-(二羟基硼基)琥珀酰苯胺酸?
The molecular formula of 3'-(二羟基硼基)琥珀酰苯胺酸 is C10H12BNO5.
What is the molecular weight of 3'-(二羟基硼基)琥珀酰苯胺酸?
The molecular weight of 3'-(二羟基硼基)琥珀酰苯胺酸 is 237.08 g/mol.
Where can I buy 3'-(二羟基硼基)琥珀酰苯胺酸?
You can request a quote for 3'-(二羟基硼基)琥珀酰苯胺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-(二羟基硼基)琥珀酰苯胺酸?
Yes, KEHONG BIO provides custom synthesis services for 3'-(二羟基硼基)琥珀酰苯胺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.