Nip 101
TL;DR: Nip 101 (CAS 6296-06-6) is a chemical compound with molecular formula C38H45N4O7P and molecular weight 700.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzhydrylpiperazin-1-yl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Also Known As: Nip 101, 2-(4-Diphenylmethyl-1-piperazinyl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate, 2-(4-benzhydrylpiperazin-1-yl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2, 2-[4-(Diphenylmethyl)piperazin-1-yl]ethyl 5-(4,6-dimethyl-2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate, 2-[5-({2-[4-(diphenylmethyl)piperazin-1-yl]ethoxy}carbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]-4,6-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-olate
| Molecular Formula | C38H45N4O7P |
|---|---|
| Molecular Weight | 700.30 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 700.3026 |
| Heavy Atoms | 50 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 6296-06-6 |
|---|---|
| SMILES | CC1CC(OP(=O)(O1)C2=C(NC(=C(C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C)C)C |
| InChIKey | SETQYEOWBPZUAW-UHFFFAOYSA-N |
Product Overview
Nip 101 (CAS 6296-06-6), with molecular formula C38H45N4O7P and molecular weight 700.30 g/mol. IUPAC: 2-(4-benzhydrylpiperazin-1-yl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of Nip 101
Property Insights of Nip 101
The XLogP value of 5.7 indicates that Nip 101 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nip 101. Following Lipinski's Rule of Five, Nip 101 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nip 101?
The CAS number of Nip 101 is 6296-06-6.
What is the molecular formula of Nip 101?
The molecular formula of Nip 101 is C38H45N4O7P.
What is the molecular weight of Nip 101?
The molecular weight of Nip 101 is 700.30 g/mol.
Where can I buy Nip 101?
You can request a quote for Nip 101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nip 101?
Yes, KEHONG BIO provides custom synthesis services for Nip 101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.