(2-Methylcarbamoylmethyl-benzoimidazol-1-yl)-acetic acid
TL;DR: (2-Methylcarbamoylmethyl-benzoimidazol-1-yl)-acetic acid (CAS 436087-05-7) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-(methylamino)-2-oxoethyl]benzimidazol-1-yl]acetic acid
Also Known As: (2-Methylcarbamoylmethyl-benzoimidazol-1-yl)-acetic acid, ASN 04211014, 3380AE, 2-[2-[2-(methylamino)-2-oxoethyl]benzimidazol-1-yl]acetic acid, (2-Methylcarbamoylmethylbenzoimidazol-1-yl)acetic acid
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 0.4094 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.09569 |
| Heavy Atoms | 18 |
| Complexity | 603.6335 |
Chemical Identifiers
| CAS Number | 436087-05-7 |
|---|---|
| SMILES | CNC(=O)CC1=NC2=CC=CC=C2N1CC(=O)O |
Product Overview
(2-Methylcarbamoylmethyl-benzoimidazol-1-yl)-acetic acid (CAS 436087-05-7), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: 2-[2-[2-(methylamino)-2-oxoethyl]benzimidazol-1-yl]acetic acid.
Chemical Property Profile of (2-Methylcarbamoylmethyl-benzoimidazol-1-yl)-acetic acid
Property Insights of (2-Methylcarbamoylmethyl-benzoimidazol-1-yl)-acetic acid
The XLogP value of 0.4094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methylcarbamoylmethyl-benzoimidazol-1-yl)-acetic acid. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Methylcarbamoylmethyl-benzoimidazol-1-yl)-acetic acid. Following Lipinski's Rule of Five, (2-Methylcarbamoylmethyl-benzoimidazol-1-yl)-acetic acid has 2 hydrogen bond donor(s) and 3 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 (2-Methylcarbamoylmethyl-benzoimidazol-1-yl)-acetic acid?
The CAS number of (2-Methylcarbamoylmethyl-benzoimidazol-1-yl)-acetic acid is 436087-05-7.
What is the molecular formula of (2-Methylcarbamoylmethyl-benzoimidazol-1-yl)-acetic acid?
The molecular formula of (2-Methylcarbamoylmethyl-benzoimidazol-1-yl)-acetic acid is C12H13N3O3.
What is the molecular weight of (2-Methylcarbamoylmethyl-benzoimidazol-1-yl)-acetic acid?
The molecular weight of (2-Methylcarbamoylmethyl-benzoimidazol-1-yl)-acetic acid is 247.10 g/mol.
Where can I buy (2-Methylcarbamoylmethyl-benzoimidazol-1-yl)-acetic acid?
You can request a quote for (2-Methylcarbamoylmethyl-benzoimidazol-1-yl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methylcarbamoylmethyl-benzoimidazol-1-yl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Methylcarbamoylmethyl-benzoimidazol-1-yl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.