CS-1002983
(2R,5S,13aR)-2,3,4,5,7,9,13,13a-Octahydro-8-hydroxy-7,9-dioxo-N-[[2,4,6-trifluoro-3-(sulfooxy)phenyl]methyl]-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide
Manufacturer: ChemScene
CAS Number: 2365156-61-0
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₁H₁₈F₃N₃O₉S
Molecular Weight
545.44
Synonyms
None
SMILES
O=C1N2C(CN3C1=C(O)C(=O)C(C(NCC4=C(F)C(OS(=O)(=O)O)=C(F)C=C4F)=O)=C3)(O[C@]5(C[C@@]2(CC5)[H])[H])[H]
Tpsa
164.47
Logp
0.816
H Acceptors
9
H Donors
3
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2365156-61-0 | META-SULFOOXY-BICTEGRAVIR | A2B Chem | -- |
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₁₈F₃N₃O₉S
Molecular Weight: 545.44
Synonyms: None
SMILES: O=C1N2C(CN3C1=C(O)C(=O)C(C(NCC4=C(F)C(OS(=O)(=O)O)=C(F)C=C4F)=O)=C3)(O[C@]5(C[C@@]2(CC5)[H])[H])[H]
Tpsa: 164.47
Logp: 0.816
H Acceptors: 9
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₁₈F₃N₃O₉S
Molecular Weight:
545.44
Synonyms:
None
SMILES:
O=C1N2C(CN3C1=C(O)C(=O)C(C(NCC4=C(F)C(OS(=O)(=O)O)=C(F)C=C4F)=O)=C3)(O[C@]5(C[C@@]2(CC5)[H])[H])[H]
Tpsa:
164.47
Logp:
0.816
H Acceptors:
9
H Donors:
3
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₈H₇₄N₂O₁₃
Molecular Weight: 767.00
Synonyms: None
SMILES: [C@@H](O[C@H]1[C@H](O)[C@@H](N(C)C)C[C@@H](C)O1)([C@H]([C@H](O[C@H]2C[C@](OC)(C)[C@@H](O)[C@H](C)O2)[C@H](C(O)=O)C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]([C@@H](CC)O)(C)O)O)C)C)C)(C)O
Tpsa: 211.31
Logp: 1.4208
H Acceptors: 14
H Donors: 7
Rotatable Bonds: 20
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₇₄N₂O₁₃
Molecular Weight:
767.00
Synonyms:
None
SMILES:
[C@@H](O[C@H]1[C@H](O)[C@@H](N(C)C)C[C@@H](C)O1)([C@H]([C@H](O[C@H]2C[C@](OC)(C)[C@@H](O)[C@H](C)O2)[C@H](C(O)=O)C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]([C@@H](CC)O)(C)O)O)C)C)C)(C)O
Tpsa:
211.31
Logp:
1.4208
H Acceptors:
14
H Donors:
7
Rotatable Bonds:
20
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₅N₅O₂
Molecular Weight: 415.49
Synonyms: None
SMILES: O=C(N)C1(C2=CC=C(C=C2)NC(=O)C3=CC=CN=C3NCC=4C=CN=CC4)CCCC1
Tpsa: 110
Logp: 3.6381
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₂₅N₅O₂
Molecular Weight:
415.49
Synonyms:
None
SMILES:
O=C(N)C1(C2=CC=C(C=C2)NC(=O)C3=CC=CN=C3NCC=4C=CN=CC4)CCCC1
Tpsa:
110
Logp:
3.6381
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₂BNO₃
Molecular Weight: 265.07
Synonyms: None
SMILES: N#CC1=CC=C(OC2=CC=C3B(OC)OCC3=C2)C=C1
Tpsa: 51.48
Logp: 2.22238
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₂BNO₃
Molecular Weight:
265.07
Synonyms:
None
SMILES:
N#CC1=CC=C(OC2=CC=C3B(OC)OCC3=C2)C=C1
Tpsa:
51.48
Logp:
2.22238
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3