Nahapba
TL;DR: Nahapba (CAS 84953-74-2) is a chemical compound with molecular formula C13H20BN3O5 and molecular weight 309.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(6-aminohexylcarbamoyl)-3-nitrophenyl]boronic acid
Also Known As: Nahapba, 3-nitro-4- phenylboronicacid, KST-1B8881, 3-Nitro-4-(6-aminohexylamido)phenylboronic acid, [4-(6-aminohexylcarbamoyl)-3-nitrophenyl]boronic acid
| Molecular Formula | C13H20BN3O5 |
|---|---|
| Molecular Weight | 309.15 g/mol |
| LogP | -0.4765 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 309.1496 |
| Heavy Atoms | 22 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 84953-74-2 |
|---|---|
| SMILES | B(C1=CC(=C(C=C1)C(=O)NCCCCCCN)[N+](=O)[O-])(O)O |
| InChIKey | VDHUVZLEHHHMRS-UHFFFAOYSA-N |
Product Overview
Nahapba (CAS 84953-74-2), with molecular formula C13H20BN3O5 and molecular weight 309.15 g/mol. IUPAC: [4-(6-aminohexylcarbamoyl)-3-nitrophenyl]boronic acid.
Chemical Property Profile of Nahapba
Property Insights of Nahapba
The XLogP value of -0.4765 indicates that Nahapba is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting Nahapba may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nahapba has 4 hydrogen bond donor(s) and 6 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 Nahapba?
The CAS number of Nahapba is 84953-74-2.
What is the molecular formula of Nahapba?
The molecular formula of Nahapba is C13H20BN3O5.
What is the molecular weight of Nahapba?
The molecular weight of Nahapba is 309.15 g/mol.
Where can I buy Nahapba?
You can request a quote for Nahapba directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nahapba?
Yes, KEHONG BIO provides custom synthesis services for Nahapba and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.