CS-0146340
epi-Velpatasvir
Manufacturer: ChemScene
CAS Number: 1493768-22-1
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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
C₄₉H₅₄N₈O₈
Molecular Weight
883.00
Synonyms
None
SMILES
O=C(N1[C@](CC[C@@H]1C)([H])C2=NC(C=C3)=C(N2)C4=C3C=C5C(OCC6=CC(C7=CN=C([C@@](C[C@@H]8COC)([H])N(C8)C([C@H](C9=CC=CC=C9)NC(OC)=O)=O)N7)=CC=C56)=C4)[C@H](C(C)C)NC(OC)=O
Tpsa
193.1
Logp
7.7315
H Acceptors
10
H Donors
4
Rotatable Bonds
11
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₄₉H₅₄N₈O₈
Molecular Weight: 883.00
Synonyms: None
SMILES: O=C(N1[C@](CC[C@@H]1C)([H])C2=NC(C=C3)=C(N2)C4=C3C=C5C(OCC6=CC(C7=CN=C([C@@](C[C@@H]8COC)([H])N(C8)C([C@H](C9=CC=CC=C9)NC(OC)=O)=O)N7)=CC=C56)=C4)[C@H](C(C)C)NC(OC)=O
Tpsa: 193.1
Logp: 7.7315
H Acceptors: 10
H Donors: 4
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₉H₅₄N₈O₈
Molecular Weight:
883.00
Synonyms:
None
SMILES:
O=C(N1[C@](CC[C@@H]1C)([H])C2=NC(C=C3)=C(N2)C4=C3C=C5C(OCC6=CC(C7=CN=C([C@@](C[C@@H]8COC)([H])N(C8)C([C@H](C9=CC=CC=C9)NC(OC)=O)=O)N7)=CC=C56)=C4)[C@H](C(C)C)NC(OC)=O
Tpsa:
193.1
Logp:
7.7315
H Acceptors:
10
H Donors:
4
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₁BrN₂
Molecular Weight: 311.18
Synonyms: None
SMILES: BrC1=CC(C2=CC=NC=C2)=CC(C3=CC=NC=C3)=C1
Tpsa: 25.78
Logp: 4.5731
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₁BrN₂
Molecular Weight:
311.18
Synonyms:
None
SMILES:
BrC1=CC(C2=CC=NC=C2)=CC(C3=CC=NC=C3)=C1
Tpsa:
25.78
Logp:
4.5731
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₃₁N₇O₂
Molecular Weight: 497.59
Synonyms: None
SMILES: CN1CC2(CC2)C(C(C1)=C3)=CC=C3NC4=NC=C(C5=O)C(N(C6=CC=CC(C(C)(O)C)=N6)N5CC=C)=N4
Tpsa: 101.1
Logp: 3.6112
H Acceptors: 9
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₃₁N₇O₂
Molecular Weight:
497.59
Synonyms:
None
SMILES:
CN1CC2(CC2)C(C(C1)=C3)=CC=C3NC4=NC=C(C5=O)C(N(C6=CC=CC(C(C)(O)C)=N6)N5CC=C)=N4
Tpsa:
101.1
Logp:
3.6112
H Acceptors:
9
H Donors:
2
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₉ClN₂O₂
Molecular Weight: 270.76
Synonyms: (R)-Benzyl 2-(aminomethyl)pyrrolidine-1-carboxylate hydrochloride
SMILES: O=C(N1[C@@H](CN)CCC1)OCC2=CC=CC=C2.[H]Cl
Tpsa: 55.56
Logp: 2.1681
H Acceptors: 3
H Donors: 1
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:
C₁₃H₁₉ClN₂O₂
Molecular Weight:
270.76
Synonyms:
(R)-Benzyl 2-(aminomethyl)pyrrolidine-1-carboxylate hydrochloride
SMILES:
O=C(N1[C@@H](CN)CCC1)OCC2=CC=CC=C2.[H]Cl
Tpsa:
55.56
Logp:
2.1681
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3