V2QK9B5ZE9
TL;DR: V2QK9B5ZE9 (CAS 981-25-9) 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.
4-[1H-benzimidazol-2-ylmethyl(formyl)amino]benzoic acid
Also Known As: NCIOpen2_002368, 4-[1H-benzimidazol-2-ylmethyl(formyl)amino]benzoic acid, 4-[(1h-benzimidazol-2-ylmethyl)(formyl)amino]benzoic acid, Benzoic acid, p-(N-(benzimidazol-2-ylmethyl)formamido)-, 4-(1H-Benzimidazol-2-ylmethyl(methanoyl)amino)benzoic acid
| Molecular Formula | C16H13N3O3 |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.0957 |
| Heavy Atoms | 22 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 981-25-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)CN(C=O)C3=CC=C(C=C3)C(=O)O |
| InChIKey | FSCLGIGYPFWUHQ-UHFFFAOYSA-N |
Product Overview
V2QK9B5ZE9 (CAS 981-25-9), with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol. IUPAC: 4-[1H-benzimidazol-2-ylmethyl(formyl)amino]benzoic acid.
Chemical Property Profile of V2QK9B5ZE9
Property Insights of V2QK9B5ZE9
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for V2QK9B5ZE9. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for V2QK9B5ZE9. Following Lipinski's Rule of Five, V2QK9B5ZE9 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 V2QK9B5ZE9?
The CAS number of V2QK9B5ZE9 is 981-25-9.
What is the molecular formula of V2QK9B5ZE9?
The molecular formula of V2QK9B5ZE9 is C16H13N3O3.
What is the molecular weight of V2QK9B5ZE9?
The molecular weight of V2QK9B5ZE9 is 295.10 g/mol.
Where can I buy V2QK9B5ZE9?
You can request a quote for V2QK9B5ZE9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for V2QK9B5ZE9?
Yes, KEHONG BIO provides custom synthesis services for V2QK9B5ZE9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.