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Methyl 4-amino-1H-benzo[d]imidazole-6-carboxylate
TL;DR: Methyl 4-amino-1H-benzo[d]imidazole-6-carboxylate (CAS 706823-07-6) is a chemical compound with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-amino-3H-benzimidazole-5-carboxylate
Also Known As: ZERO/005378, methyl 4-amino-1H-benzimidazole-6-carboxylate, Methyl 4-amino-1H-benzo[d]imidazole-6-carboxylate, methyl 4-aminobenzimidazole-6-carboxylate, methyl 7-amino-3H-benzimidazole-5-carboxylate
| Molecular Formula | C9H9N3O2 |
|---|---|
| Molecular Weight | 191.07 g/mol |
| LogP | 0.9317 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.06947 |
| Heavy Atoms | 14 |
| Complexity | 489.76276 |
Chemical Identifiers
| CAS Number | 706823-07-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=C2C(=C1)NC=N2)N |
Product Overview
Methyl 4-amino-1H-benzo[d]imidazole-6-carboxylate (CAS 706823-07-6), with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol. IUPAC: methyl 7-amino-3H-benzimidazole-5-carboxylate.
Chemical Property Profile of Methyl 4-amino-1H-benzo[d]imidazole-6-carboxylate
Property Insights of Methyl 4-amino-1H-benzo[d]imidazole-6-carboxylate
The XLogP value of 0.9317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-amino-1H-benzo[d]imidazole-6-carboxylate. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-amino-1H-benzo[d]imidazole-6-carboxylate. Following Lipinski's Rule of Five, Methyl 4-amino-1H-benzo[d]imidazole-6-carboxylate has 2 hydrogen bond donor(s) and 4 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 4-amino-1H-benzo[d]imidazole-6-carboxylate?
The CAS number of Methyl 4-amino-1H-benzo[d]imidazole-6-carboxylate is 706823-07-6.
What is the molecular formula of Methyl 4-amino-1H-benzo[d]imidazole-6-carboxylate?
The molecular formula of Methyl 4-amino-1H-benzo[d]imidazole-6-carboxylate is C9H9N3O2.
What is the molecular weight of Methyl 4-amino-1H-benzo[d]imidazole-6-carboxylate?
The molecular weight of Methyl 4-amino-1H-benzo[d]imidazole-6-carboxylate is 191.07 g/mol.
Where can I buy Methyl 4-amino-1H-benzo[d]imidazole-6-carboxylate?
You can request a quote for Methyl 4-amino-1H-benzo[d]imidazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-amino-1H-benzo[d]imidazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-amino-1H-benzo[d]imidazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.