CS-1064771
5-(4-Chlorobut-1-yn-1-yl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Manufacturer: ChemScene
CAS Number: 2607779-91-7
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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
C₁₀H₈ClN₃O
Molecular Weight
221.64
Synonyms
None
SMILES
O=C1N=CNC=2NC=C(C#CCCCl)C12
Tpsa
61.54
Logp
1.2316
H Acceptors
2
H Donors
2
Rotatable Bonds
1
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: C₁₀H₈ClN₃O
Molecular Weight: 221.64
Synonyms: None
SMILES: O=C1N=CNC=2NC=C(C#CCCCl)C12
Tpsa: 61.54
Logp: 1.2316
H Acceptors: 2
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:
C₁₀H₈ClN₃O
Molecular Weight:
221.64
Synonyms:
None
SMILES:
O=C1N=CNC=2NC=C(C#CCCCl)C12
Tpsa:
61.54
Logp:
1.2316
H Acceptors:
2
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: C₁₁H₉BrN₂O₂
Molecular Weight: 281.11
Synonyms: None
SMILES: O=C1NC=CN2C(C#COCC)=C(Br)C=C12
Tpsa: 46.5
Logp: 1.7356
H Acceptors: 3
H Donors: 1
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:
C₁₁H₉BrN₂O₂
Molecular Weight:
281.11
Synonyms:
None
SMILES:
O=C1NC=CN2C(C#COCC)=C(Br)C=C12
Tpsa:
46.5
Logp:
1.7356
H Acceptors:
3
H Donors:
1
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: C₁₁H₉NO₃S
Molecular Weight: 235.26
Synonyms: None
SMILES: O=C(OC)C1=CC=2SC=C(C#CCO)C2N1
Tpsa: 62.32
Logp: 1.3598
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:
C₁₁H₉NO₃S
Molecular Weight:
235.26
Synonyms:
None
SMILES:
O=C(OC)C1=CC=2SC=C(C#CCO)C2N1
Tpsa:
62.32
Logp:
1.3598
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: C₁₁H₉N₃O₃
Molecular Weight: 231.21
Synonyms: None
SMILES: O=C(O)C=1N=C2C=NC(C#COCC)=CN2C1
Tpsa: 76.72
Logp: 0.773
H Acceptors: 5
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:
C₁₁H₉N₃O₃
Molecular Weight:
231.21
Synonyms:
None
SMILES:
O=C(O)C=1N=C2C=NC(C#COCC)=CN2C1
Tpsa:
76.72
Logp:
0.773
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2