![3-[Borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid structure](/static/products/4972/497258-67-0.webp)
3-[Borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid
TL;DR: 3-[Borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid (CAS 497258-67-0) is a chemical compound with molecular formula C14H14BNO5S and molecular weight 319.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid
Also Known As: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, (R)-3-(borono(2-(thiophen-2-yl)acetamido)methyl)benzoic acid, 3-[borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid, 3-[(R)-(dihydroxyboranyl)[2-(thiophen-2-yl)acetamido]methyl]benzoic acid
| Molecular Formula | C14H14BNO5S |
|---|---|
| Molecular Weight | 319.07 g/mol |
| LogP | 0.8583 |
| Topological Polar Surface Area | 106.86 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.06857 |
| Heavy Atoms | 22 |
| Complexity | 659.01263 |
Chemical Identifiers
| CAS Number | 497258-67-0 |
|---|---|
| SMILES | B(C(C1=CC(=CC=C1)C(=O)O)NC(=O)CC2=CC=CS2)(O)O |
Product Overview
3-[Borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid (CAS 497258-67-0), with molecular formula C14H14BNO5S and molecular weight 319.07 g/mol. IUPAC: 3-[borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid.
Chemical Property Profile of 3-[Borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid
Property Insights of 3-[Borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid
The XLogP value of 0.8583 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[Borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid. The TPSA of 106.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[Borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid. Following Lipinski's Rule of Five, 3-[Borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid 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-[Borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid?
The CAS number of 3-[Borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid is 497258-67-0.
What is the molecular formula of 3-[Borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid?
The molecular formula of 3-[Borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid is C14H14BNO5S.
What is the molecular weight of 3-[Borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid?
The molecular weight of 3-[Borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid is 319.07 g/mol.
Where can I buy 3-[Borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid?
You can request a quote for 3-[Borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[Borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[Borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.