methyl (3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetate
TL;DR: methyl (3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetate (CAS 439128-37-7) is a chemical compound with molecular formula C14H19N3O2 and molecular weight 261.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-butyl-2-iminobenzimidazol-1-yl)acetate
Also Known As: ChemDiv3_015025, BAS 00631179, methyl 2-(3-butyl-2-iminobenzimidazol-1-yl)acetate, methyl 2-(3-butyl-2-imino-3-hydrobenzimidazolyl)acetate, methyl (3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetate
| Molecular Formula | C14H19N3O2 |
|---|---|
| Molecular Weight | 261.15 g/mol |
| LogP | 1.89537 |
| Topological Polar Surface Area | 60.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.14774 |
| Heavy Atoms | 19 |
| Complexity | 639.66876 |
Chemical Identifiers
| CAS Number | 439128-37-7 |
|---|---|
| SMILES | CCCCN1C2=CC=CC=C2N(C1=N)CC(=O)OC |
Product Overview
methyl (3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetate (CAS 439128-37-7), with molecular formula C14H19N3O2 and molecular weight 261.15 g/mol. IUPAC: methyl 2-(3-butyl-2-iminobenzimidazol-1-yl)acetate.
Chemical Property Profile of methyl (3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetate
Property Insights of methyl (3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetate
The XLogP value of 1.89537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetate. The TPSA of 60.01 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetate. Following Lipinski's Rule of Five, methyl (3-butyl-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-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetate?
The CAS number of methyl (3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetate is 439128-37-7.
What is the molecular formula of methyl (3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetate?
The molecular formula of methyl (3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetate is C14H19N3O2.
What is the molecular weight of methyl (3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetate?
The molecular weight of methyl (3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetate is 261.15 g/mol.
Where can I buy methyl (3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetate?
You can request a quote for methyl (3-butyl-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-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.