Biotinyl-4-nitrophenyl ester
TL;DR: Biotinyl-4-nitrophenyl ester (CAS 33755-53-2) is a chemical compound with molecular formula C16H19N3O5S and molecular weight 365.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
Also Known As: (+)-Biotin 4-nitrophenyl ester, (+)-Biotin-ONP, d-Biotin p-nitrophenyl ester, Biotin-ONP, Biotin-p-nitrophenyl ester
| Molecular Formula | C16H19N3O5S |
|---|---|
| Molecular Weight | 365.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 365.10455 |
| Heavy Atoms | 25 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 33755-53-2 |
|---|---|
| SMILES | C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)N2 |
| InChIKey | YUDNXDTXQPYKCA-YDHLFZDLSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Biotinyl-4-nitrophenyl ester (CAS 33755-53-2), with molecular formula C16H19N3O5S and molecular weight 365.10 g/mol. IUPAC: (4-nitrophenyl) 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate.
Chemical Property Profile of Biotinyl-4-nitrophenyl ester
Property Insights of Biotinyl-4-nitrophenyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Biotinyl-4-nitrophenyl ester. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Biotinyl-4-nitrophenyl ester. Following Lipinski's Rule of Five, Biotinyl-4-nitrophenyl ester has 2 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 Biotinyl-4-nitrophenyl ester?
The CAS number of Biotinyl-4-nitrophenyl ester is 33755-53-2.
What is the molecular formula of Biotinyl-4-nitrophenyl ester?
The molecular formula of Biotinyl-4-nitrophenyl ester is C16H19N3O5S.
What is the molecular weight of Biotinyl-4-nitrophenyl ester?
The molecular weight of Biotinyl-4-nitrophenyl ester is 365.10 g/mol.
Where can I buy Biotinyl-4-nitrophenyl ester?
You can request a quote for Biotinyl-4-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Biotinyl-4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Biotinyl-4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.