CS-0147972
tert-Butyl (6-chloro-1-((3aR,4R,6R,6aR)-6-(((2-(diethoxyphosphoryl)-1-hydroxy-3-methoxypropan-2-yl)oxy)methyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)(cyclopentyl)carbamate
Manufacturer: ChemScene
CAS Number: 2381269-96-9
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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
C₃₁H₄₉ClN₅O₁₁P
Molecular Weight
734.17
Synonyms
None
SMILES
O=[P](OCC)(OCC)C(COC)(CO)OC[C@H]1O[C@](N2C3=NC(Cl)=NC(N(C4CCCC4)C(OC(C)(C)C)=O)=C3C=N2)([H])[C@@](O5)([H])[C@]1([H])OC5(C)C
Tpsa
175.05
Logp
5.199
H Acceptors
15
H Donors
1
Rotatable Bonds
14
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: C₃₁H₄₉ClN₅O₁₁P
Molecular Weight: 734.17
Synonyms: None
SMILES: O=[P](OCC)(OCC)C(COC)(CO)OC[C@H]1O[C@](N2C3=NC(Cl)=NC(N(C4CCCC4)C(OC(C)(C)C)=O)=C3C=N2)([H])[C@@](O5)([H])[C@]1([H])OC5(C)C
Tpsa: 175.05
Logp: 5.199
H Acceptors: 15
H Donors: 1
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₄₉ClN₅O₁₁P
Molecular Weight:
734.17
Synonyms:
None
SMILES:
O=[P](OCC)(OCC)C(COC)(CO)OC[C@H]1O[C@](N2C3=NC(Cl)=NC(N(C4CCCC4)C(OC(C)(C)C)=O)=C3C=N2)([H])[C@@](O5)([H])[C@]1([H])OC5(C)C
Tpsa:
175.05
Logp:
5.199
H Acceptors:
15
H Donors:
1
Rotatable Bonds:
14
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₅NO₃
Molecular Weight: 185.22
Synonyms: None
SMILES: O=C(OC(C)(C)C)CC(C1)NC1=O
Tpsa: 55.4
Logp: 0.6067
H Acceptors: 3
H Donors: 1
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:
C₉H₁₅NO₃
Molecular Weight:
185.22
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)CC(C1)NC1=O
Tpsa:
55.4
Logp:
0.6067
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD30747786
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₂ClN₅O₃
Molecular Weight: 367.83
Synonyms: None
SMILES: ClC(C=N1)=CC=C1NC(C(N[C@@H]2[C@@H](C[C@H](CC2)C(N(C)C)=O)N)=O)=O
Tpsa: 117.42
Logp: 0.3739
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD30747786
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₂ClN₅O₃
Molecular Weight:
367.83
Synonyms:
None
SMILES:
ClC(C=N1)=CC=C1NC(C(N[C@@H]2[C@@H](C[C@H](CC2)C(N(C)C)=O)N)=O)=O
Tpsa:
117.42
Logp:
0.3739
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₃₀ClN₅O₅
Molecular Weight: 467.95
Synonyms: None
SMILES: O=C(OC(C)(C)C)N[C@H]1[C@@H](NC(C(NC2=NC=C(Cl)C=C2)=O)=O)CC[C@H](C(N(C)C)=O)C1
Tpsa: 129.73
Logp: 1.9399
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₃₀ClN₅O₅
Molecular Weight:
467.95
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N[C@H]1[C@@H](NC(C(NC2=NC=C(Cl)C=C2)=O)=O)CC[C@H](C(N(C)C)=O)C1
Tpsa:
129.73
Logp:
1.9399
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
4