N-Ethyl-3-nitro PABA
TL;DR: N-Ethyl-3-nitro PABA (CAS 2788-74-1) is a chemical compound with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(ethylamino)-3-nitrobenzoic acid
Also Known As: 4-(ethylamino)-3-nitrobenzoic acid, N-Ethyl-3-nitro PABA, 4-Ethylamino-3-nitro-benzoic acid, 4-Ethylamino-3-nitrobenzoic acid, N-Ethyl-3-nitro PABA [INCI]
| Molecular Formula | C9H10N2O4 |
|---|---|
| Molecular Weight | 210.06 g/mol |
| LogP | 1.7248 |
| Topological Polar Surface Area | 92.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.06406 |
| Heavy Atoms | 15 |
| Complexity | 403.09885 |
Chemical Identifiers
| CAS Number | 2788-74-1 |
|---|---|
| SMILES | CCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] |
Product Overview
N-Ethyl-3-nitro PABA (CAS 2788-74-1), with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol. IUPAC: 4-(ethylamino)-3-nitrobenzoic acid.
Chemical Property Profile of N-Ethyl-3-nitro PABA
Property Insights of N-Ethyl-3-nitro PABA
The XLogP value of 1.7248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Ethyl-3-nitro PABA. The TPSA of 92.47 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Ethyl-3-nitro PABA. Following Lipinski's Rule of Five, N-Ethyl-3-nitro PABA 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-Ethyl-3-nitro PABA?
The CAS number of N-Ethyl-3-nitro PABA is 2788-74-1.
What is the molecular formula of N-Ethyl-3-nitro PABA?
The molecular formula of N-Ethyl-3-nitro PABA is C9H10N2O4.
What is the molecular weight of N-Ethyl-3-nitro PABA?
The molecular weight of N-Ethyl-3-nitro PABA is 210.06 g/mol.
Where can I buy N-Ethyl-3-nitro PABA?
You can request a quote for N-Ethyl-3-nitro PABA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Ethyl-3-nitro PABA?
Yes, KEHONG BIO provides custom synthesis services for N-Ethyl-3-nitro PABA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.