CS-1002463
4-[1-[(2,4-Diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzamide
Manufacturer: ChemScene
CAS Number: 2028268-08-6
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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
C₁₈H₁₇N₇O
Molecular Weight
347.37
Synonyms
None
SMILES
O=C(N)C1=CC=C(C=C1)C(CC#C)CC=2N=C3C(=NC2)N=C(N=C3N)N
Tpsa
146.69
Logp
1.0327
H Acceptors
7
H Donors
3
Rotatable Bonds
5
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: C₁₈H₁₇N₇O
Molecular Weight: 347.37
Synonyms: None
SMILES: O=C(N)C1=CC=C(C=C1)C(CC#C)CC=2N=C3C(=NC2)N=C(N=C3N)N
Tpsa: 146.69
Logp: 1.0327
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₇N₇O
Molecular Weight:
347.37
Synonyms:
None
SMILES:
O=C(N)C1=CC=C(C=C1)C(CC#C)CC=2N=C3C(=NC2)N=C(N=C3N)N
Tpsa:
146.69
Logp:
1.0327
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₅Cl₂N
Molecular Weight: 232.15
Synonyms: None
SMILES: ClC1=CC=C(C=C1)CCNC(C)CCl
Tpsa: 12.03
Logp: 3.0994
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₅Cl₂N
Molecular Weight:
232.15
Synonyms:
None
SMILES:
ClC1=CC=C(C=C1)CCNC(C)CCl
Tpsa:
12.03
Logp:
3.0994
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₉NO₂S
Molecular Weight: 243.28
Synonyms: None
SMILES: O=C1NC=2C=CC=CC2S(=O)C=3C=CC=CC13
Tpsa: 46.17
Logp: 2.419
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₉NO₂S
Molecular Weight:
243.28
Synonyms:
None
SMILES:
O=C1NC=2C=CC=CC2S(=O)C=3C=CC=CC13
Tpsa:
46.17
Logp:
2.419
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₂₆ClN₅O₆
Molecular Weight: 527.96
Synonyms: None
SMILES: O=C(OCC)C1=NN(C2=CC=C(Cl)C=C2)C3(C(=O)N(C4=CC=C(C=C4)N(=O)=O)CCC13)N5CCOCC5
Tpsa: 117.82
Logp: 3.0689
H Acceptors: 9
H Donors: 0
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:
C₂₅H₂₆ClN₅O₆
Molecular Weight:
527.96
Synonyms:
None
SMILES:
O=C(OCC)C1=NN(C2=CC=C(Cl)C=C2)C3(C(=O)N(C4=CC=C(C=C4)N(=O)=O)CCC13)N5CCOCC5
Tpsa:
117.82
Logp:
3.0689
H Acceptors:
9
H Donors:
0
Rotatable Bonds:
6