CS-0008556
(1S,2S,4R)-4-(4-(N-((S)-2,3-Dihydro-1H-inden-1-yl)benzamido)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-((sulfamoyloxy)methyl)cyclopentyl benzoate
Manufacturer: ChemScene
CAS Number: None
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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
C₃₅H₃₃N₅O₆S
Molecular Weight
651.73
Synonyms
None
SMILES
O=C(C1=CC=CC=C1)O[C@@H]2[C@H](COS(=O)(N)=O)C[C@@H](N3C=CC4=C(N(C(C5=CC=CC=C5)=O)[C@H]6CCC7=C6C=CC=C7)N=CN=C43)C2
Tpsa
146.71
Logp
5.1624
H Acceptors
9
H Donors
1
Rotatable Bonds
9
Other Options
...
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: C₃₅H₃₃N₅O₆S
Molecular Weight: 651.73
Synonyms: None
SMILES: O=C(C1=CC=CC=C1)O[C@@H]2[C@H](COS(=O)(N)=O)C[C@@H](N3C=CC4=C(N(C(C5=CC=CC=C5)=O)[C@H]6CCC7=C6C=CC=C7)N=CN=C43)C2
Tpsa: 146.71
Logp: 5.1624
H Acceptors: 9
H Donors: 1
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₅H₃₃N₅O₆S
Molecular Weight:
651.73
Synonyms:
None
SMILES:
O=C(C1=CC=CC=C1)O[C@@H]2[C@H](COS(=O)(N)=O)C[C@@H](N3C=CC4=C(N(C(C5=CC=CC=C5)=O)[C@H]6CCC7=C6C=CC=C7)N=CN=C43)C2
Tpsa:
146.71
Logp:
5.1624
H Acceptors:
9
H Donors:
1
Rotatable Bonds:
9
Purity: 98%
MDL No: MFCD00127824
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₆N₂O₄
Molecular Weight: 170.12
Synonyms: Methyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate; Methyl orotate; 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, methyl ester
SMILES: O=C(C(NC1=O)=CC(N1)=O)OC
Tpsa: 92.02
Logp: -1.1502
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD00127824
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₆N₂O₄
Molecular Weight:
170.12
Synonyms:
Methyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate; Methyl orotate; 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, methyl ester
SMILES:
O=C(C(NC1=O)=CC(N1)=O)OC
Tpsa:
92.02
Logp:
-1.1502
H Acceptors:
4
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: C₆H₁₁IN₂Si
Molecular Weight: 266.15
Synonyms: None
SMILES: IC1=CN([Si](C)(C)C)N=C1
Tpsa: 17.82
Logp: 2.1707
H Acceptors: 2
H Donors: 0
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:
C₆H₁₁IN₂Si
Molecular Weight:
266.15
Synonyms:
None
SMILES:
IC1=CN([Si](C)(C)C)N=C1
Tpsa:
17.82
Logp:
2.1707
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD00192079
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₀O₄
Molecular Weight: 158.15
Synonyms: Dimethyl cyclopropane-1,1-dicarboxylate; Dimethyl 1,1-cyclopropanedicarboxylate
SMILES: O=C(C1(C(OC)=O)CC1)OC
Tpsa: 52.6
Logp: 0.1126
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD00192079
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₀O₄
Molecular Weight:
158.15
Synonyms:
Dimethyl cyclopropane-1,1-dicarboxylate; Dimethyl 1,1-cyclopropanedicarboxylate
SMILES:
O=C(C1(C(OC)=O)CC1)OC
Tpsa:
52.6
Logp:
0.1126
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2