25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol
TL;DR: 25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol (CAS 105539-27-3) is a chemical compound with molecular formula C33H48N4O4 and molecular weight 564.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: 25-Nbd-mnc, 25-NBD Cholesterol, 25-Nbd-methylamino-27-norcholesterol, (3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, 25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol
| Molecular Formula | C33H48N4O4 |
|---|---|
| Molecular Weight | 564.37 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 564.36755 |
| Heavy Atoms | 41 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 105539-27-3 |
|---|---|
| SMILES | C[C@H](CCCC(C)N(C)C1=CC=C(C2=NON=C12)[N+](=O)[O-])[C@@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C |
| InChIKey | RMGLSQAGXRZCPZ-OVHOIDCTSA-N |
Product Overview
25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol (CAS 105539-27-3), with molecular formula C33H48N4O4 and molecular weight 564.37 g/mol. IUPAC: (3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of 25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol
Property Insights of 25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol
The XLogP value of 8.2 indicates that 25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol. Following Lipinski's Rule of Five, 25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol?
The CAS number of 25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol is 105539-27-3.
What is the molecular formula of 25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol?
The molecular formula of 25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol is C33H48N4O4.
What is the molecular weight of 25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol?
The molecular weight of 25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol is 564.37 g/mol.
Where can I buy 25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol?
You can request a quote for 25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol?
Yes, KEHONG BIO provides custom synthesis services for 25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.