N-4-Azido-2-nitrophenyl-beta-alanyl-gamma-tocopherol
TL;DR: N-4-Azido-2-nitrophenyl-beta-alanyl-gamma-tocopherol (CAS 99332-97-5) is a chemical compound with molecular formula C37H55N5O5 and molecular weight 649.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 3-(4-azido-2-nitroanilino)propanoate
Also Known As: Napa-gamma-tocopherol, N-4-Azido-2-nitrophenyl-beta-alanyl-gamma-tocopherol, [2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 3-(4-azido-2-nitroanilino)propanoate, 2,7,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl N-(4-azido-2-nitrophenyl)-beta-alaninate, RefChem:162490
| Molecular Formula | C37H55N5O5 |
|---|---|
| Molecular Weight | 649.42 g/mol |
| LogP | 11.08384 |
| Topological Polar Surface Area | 139.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 19 |
| Exact Mass | 649.42035 |
| Heavy Atoms | 47 |
| Complexity | 1420.3303 |
Chemical Identifiers
| CAS Number | 99332-97-5 |
|---|---|
| SMILES | CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)OC(=O)CCNC3=C(C=C(C=C3)N=[N+]=[N-])[N+](=O)[O-] |
Product Overview
N-4-Azido-2-nitrophenyl-beta-alanyl-gamma-tocopherol (CAS 99332-97-5), with molecular formula C37H55N5O5 and molecular weight 649.42 g/mol. IUPAC: [2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 3-(4-azido-2-nitroanilino)propanoate.
Chemical Property Profile of N-4-Azido-2-nitrophenyl-beta-alanyl-gamma-tocopherol
Property Insights of N-4-Azido-2-nitrophenyl-beta-alanyl-gamma-tocopherol
The XLogP value of 11.08384 indicates that N-4-Azido-2-nitrophenyl-beta-alanyl-gamma-tocopherol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.46 Ų falls within the moderate polarity range, balancing permeability and solubility for N-4-Azido-2-nitrophenyl-beta-alanyl-gamma-tocopherol. Following Lipinski's Rule of Five, N-4-Azido-2-nitrophenyl-beta-alanyl-gamma-tocopherol 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 N-4-Azido-2-nitrophenyl-beta-alanyl-gamma-tocopherol?
The CAS number of N-4-Azido-2-nitrophenyl-beta-alanyl-gamma-tocopherol is 99332-97-5.
What is the molecular formula of N-4-Azido-2-nitrophenyl-beta-alanyl-gamma-tocopherol?
The molecular formula of N-4-Azido-2-nitrophenyl-beta-alanyl-gamma-tocopherol is C37H55N5O5.
What is the molecular weight of N-4-Azido-2-nitrophenyl-beta-alanyl-gamma-tocopherol?
The molecular weight of N-4-Azido-2-nitrophenyl-beta-alanyl-gamma-tocopherol is 649.42 g/mol.
Where can I buy N-4-Azido-2-nitrophenyl-beta-alanyl-gamma-tocopherol?
You can request a quote for N-4-Azido-2-nitrophenyl-beta-alanyl-gamma-tocopherol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-4-Azido-2-nitrophenyl-beta-alanyl-gamma-tocopherol?
Yes, KEHONG BIO provides custom synthesis services for N-4-Azido-2-nitrophenyl-beta-alanyl-gamma-tocopherol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.