Biotinyl P-Nitroaniline
TL;DR: Biotinyl P-Nitroaniline (CAS 33755-54-3) is a chemical compound with molecular formula C16H20N4O4S and molecular weight 364.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(4-nitrophenyl)pentanamide
Also Known As: BIOTINYL P-NITROANILINE, J2.310.845C, 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE, BNI, N-(4-nitrophenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
| Molecular Formula | C16H20N4O4S |
|---|---|
| Molecular Weight | 364.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.1205 |
| Heavy Atoms | 25 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 33755-54-3 |
|---|---|
| SMILES | C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)N2 |
| InChIKey | PORZMUYPQKOFQY-YDHLFZDLSA-N |
Product Overview
Biotinyl P-Nitroaniline (CAS 33755-54-3), with molecular formula C16H20N4O4S and molecular weight 364.12 g/mol. IUPAC: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(4-nitrophenyl)pentanamide.
Chemical Property Profile of Biotinyl P-Nitroaniline
Property Insights of Biotinyl P-Nitroaniline
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Biotinyl P-Nitroaniline. The TPSA of 141.0 Ų indicates high polarity, suggesting Biotinyl P-Nitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Biotinyl P-Nitroaniline has 3 hydrogen bond donor(s) and 5 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 Biotinyl P-Nitroaniline?
The CAS number of Biotinyl P-Nitroaniline is 33755-54-3.
What is the molecular formula of Biotinyl P-Nitroaniline?
The molecular formula of Biotinyl P-Nitroaniline is C16H20N4O4S.
What is the molecular weight of Biotinyl P-Nitroaniline?
The molecular weight of Biotinyl P-Nitroaniline is 364.12 g/mol.
Where can I buy Biotinyl P-Nitroaniline?
You can request a quote for Biotinyl P-Nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Biotinyl P-Nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for Biotinyl P-Nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.