![methyl [3-(4-tert-butylbenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate structure](/static/products/4253/425399-63-9.webp)
methyl [3-(4-tert-butylbenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate
TL;DR: methyl [3-(4-tert-butylbenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate (CAS 425399-63-9) is a chemical compound with molecular formula C21H25N3O2 and molecular weight 351.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-[(4-tert-butylphenyl)methyl]-2-iminobenzimidazol-1-yl]acetate
Also Known As: BAS 01006794, AE-848/12530497, methyl 2-[3-[(4-tert-butylphenyl)methyl]-2-iminobenzimidazol-1-yl]acetate, methyl [3-(4-tert-butylbenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate, methyl 2-(3-(4-(tert-butyl)benzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetate
| Molecular Formula | C21H25N3O2 |
|---|---|
| Molecular Weight | 351.19 g/mol |
| LogP | 3.44107 |
| Topological Polar Surface Area | 60.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.19467 |
| Heavy Atoms | 26 |
| Complexity | 988.7535 |
Chemical Identifiers
| CAS Number | 425399-63-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(=O)OC |
Product Overview
methyl [3-(4-tert-butylbenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate (CAS 425399-63-9), with molecular formula C21H25N3O2 and molecular weight 351.19 g/mol. IUPAC: methyl 2-[3-[(4-tert-butylphenyl)methyl]-2-iminobenzimidazol-1-yl]acetate.
Chemical Property Profile of methyl [3-(4-tert-butylbenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate
Property Insights of methyl [3-(4-tert-butylbenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate
The XLogP value of 3.44107 indicates that methyl [3-(4-tert-butylbenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.01 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [3-(4-tert-butylbenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate. Following Lipinski's Rule of Five, methyl [3-(4-tert-butylbenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate has 1 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 methyl [3-(4-tert-butylbenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate?
The CAS number of methyl [3-(4-tert-butylbenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate is 425399-63-9.
What is the molecular formula of methyl [3-(4-tert-butylbenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate?
The molecular formula of methyl [3-(4-tert-butylbenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate is C21H25N3O2.
What is the molecular weight of methyl [3-(4-tert-butylbenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate?
The molecular weight of methyl [3-(4-tert-butylbenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate is 351.19 g/mol.
Where can I buy methyl [3-(4-tert-butylbenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate?
You can request a quote for methyl [3-(4-tert-butylbenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl [3-(4-tert-butylbenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [3-(4-tert-butylbenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.