依法韦仑/恩曲他滨/替诺福韦
TL;DR: 依法韦仑/恩曲他滨/替诺福韦 (CAS 731772-50-2) is a chemical compound with molecular formula C45H53ClF4N9O19PS and molecular weight 1197.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
依法韦仑/恩曲他滨/替诺福韦
4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid;(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Also Known As: ATRIPLA, efavirenz, Emtricitabine, Atripla Access, EFV/FTC/TDF
| Molecular Formula | C45H53ClF4N9O19PS |
|---|---|
| Molecular Weight | 1197.25 g/mol |
| LogP | 6.3655 |
| Topological Polar Surface Area | 388.74 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 17 |
| Exact Mass | 1197.254 |
| Heavy Atoms | 80 |
| Complexity | 2984.2224 |
Chemical Identifiers
| CAS Number | 731772-50-2 |
|---|---|
| SMILES | C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C.C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F.C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F.C(=C/C(=O)O)\C(=O)O |
Product Overview
依法韦仑/恩曲他滨/替诺福韦 (CAS 731772-50-2), with molecular formula C45H53ClF4N9O19PS and molecular weight 1197.25 g/mol. IUPAC: 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid;(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one.
Chemical Property Profile of 依法韦仑/恩曲他滨/替诺福韦
Property Insights of 依法韦仑/恩曲他滨/替诺福韦
The XLogP value of 6.3655 indicates that 依法韦仑/恩曲他滨/替诺福韦 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 388.74 Ų indicates high polarity, suggesting 依法韦仑/恩曲他滨/替诺福韦 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 依法韦仑/恩曲他滨/替诺福韦 has 6 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 依法韦仑/恩曲他滨/替诺福韦?
The CAS number of 依法韦仑/恩曲他滨/替诺福韦 is 731772-50-2.
What is the molecular formula of 依法韦仑/恩曲他滨/替诺福韦?
The molecular formula of 依法韦仑/恩曲他滨/替诺福韦 is C45H53ClF4N9O19PS.
What is the molecular weight of 依法韦仑/恩曲他滨/替诺福韦?
The molecular weight of 依法韦仑/恩曲他滨/替诺福韦 is 1197.25 g/mol.
Where can I buy 依法韦仑/恩曲他滨/替诺福韦?
You can request a quote for 依法韦仑/恩曲他滨/替诺福韦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 依法韦仑/恩曲他滨/替诺福韦?
Yes, KEHONG BIO provides custom synthesis services for 依法韦仑/恩曲他滨/替诺福韦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.