N-(1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
TL;DR: N-(1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide (CAS 727997-85-5) is a chemical compound with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
Also Known As: N-(1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide, A3818/0162114
| Molecular Formula | C16H13N3O3 |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 2.2216 |
| Topological Polar Surface Area | 76.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.0957 |
| Heavy Atoms | 22 |
| Complexity | 823.71826 |
Chemical Identifiers
| CAS Number | 727997-85-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4N3 |
Product Overview
N-(1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide (CAS 727997-85-5), with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol. IUPAC: N-(1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-(1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
Property Insights of N-(1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
The XLogP value of 2.2216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide. The TPSA of 76.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-(1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide 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 N-(1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide?
The CAS number of N-(1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide is 727997-85-5.
What is the molecular formula of N-(1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-(1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide is C16H13N3O3.
What is the molecular weight of N-(1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-(1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide is 295.10 g/mol.
Where can I buy N-(1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-(1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.