CS-1174934
4-(Difluoromethoxy)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride
Manufacturer: ChemScene
CAS Number: 3046376-27-3
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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
C₈H₁₀ClF₂N₃O₂
Molecular Weight
253.63
Synonyms
None
SMILES
COC1=NC(OC(F)F)=C2C(CNC2)=N1.[H]Cl
Tpsa
56.27
Logp
1.1116
H Acceptors
5
H Donors
1
Rotatable Bonds
3
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: C₈H₁₀ClF₂N₃O₂
Molecular Weight: 253.63
Synonyms: None
SMILES: COC1=NC(OC(F)F)=C2C(CNC2)=N1.[H]Cl
Tpsa: 56.27
Logp: 1.1116
H Acceptors: 5
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:
C₈H₁₀ClF₂N₃O₂
Molecular Weight:
253.63
Synonyms:
None
SMILES:
COC1=NC(OC(F)F)=C2C(CNC2)=N1.[H]Cl
Tpsa:
56.27
Logp:
1.1116
H Acceptors:
5
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: C₉H₅BrClNO₂
Molecular Weight: 274.50
Synonyms: None
SMILES: O=C(C1=CNC2=C1C=C(Cl)C(Br)=C2)O
Tpsa: 53.09
Logp: 3.282
H Acceptors: 1
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₅BrClNO₂
Molecular Weight:
274.50
Synonyms:
None
SMILES:
O=C(C1=CNC2=C1C=C(Cl)C(Br)=C2)O
Tpsa:
53.09
Logp:
3.282
H Acceptors:
1
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₃₅N₅O₇S
Molecular Weight: 633.71
Synonyms: Upadacitinib Impurity 24
SMILES: O=C(OCC1=CC=CC=C1)N2C[C@H](CC)[C@H](C(CN(C3=CN=C4C(C=CN4S(C5=CC=C(C)C=C5)(=O)=O)=N3)C(OCC)=O)=O)C2
Tpsa: 141
Logp: 4.80352
H Acceptors: 10
H Donors: 0
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₅N₅O₇S
Molecular Weight:
633.71
Synonyms:
Upadacitinib Impurity 24
SMILES:
O=C(OCC1=CC=CC=C1)N2C[C@H](CC)[C@H](C(CN(C3=CN=C4C(C=CN4S(C5=CC=C(C)C=C5)(=O)=O)=N3)C(OCC)=O)=O)C2
Tpsa:
141
Logp:
4.80352
H Acceptors:
10
H Donors:
0
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₃₅N₅O₇S
Molecular Weight: 633.71
Synonyms: None
SMILES: O=S(N1C2=NC=C(N(C(OCC)=O)CC([C@H]3[C@@H](CN(C3)C(OCC4=CC=CC=C4)=O)CC)=O)N=C2C=C1)(C5=CC=C(C=C5)C)=O
Tpsa: 141
Logp: 4.80352
H Acceptors: 10
H Donors: 0
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₅N₅O₇S
Molecular Weight:
633.71
Synonyms:
None
SMILES:
O=S(N1C2=NC=C(N(C(OCC)=O)CC([C@H]3[C@@H](CN(C3)C(OCC4=CC=CC=C4)=O)CC)=O)N=C2C=C1)(C5=CC=C(C=C5)C)=O
Tpsa:
141
Logp:
4.80352
H Acceptors:
10
H Donors:
0
Rotatable Bonds:
10