CS-0329535
8-Bromo-7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Manufacturer: ChemScene
CAS Number: 115415-41-3
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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
C₈H₈BrClN₄O₂
Molecular Weight
307.53
Synonyms
8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
SMILES
CN1C2=C(N(C(Br)=N2)CCCl)C(NC1=O)=O
Tpsa
72.68
Logp
0.4246
H Acceptors
5
H Donors
1
Rotatable Bonds
2
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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: C₈H₈BrClN₄O₂
Molecular Weight: 307.53
Synonyms: 8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
SMILES: CN1C2=C(N(C(Br)=N2)CCCl)C(NC1=O)=O
Tpsa: 72.68
Logp: 0.4246
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:
C₈H₈BrClN₄O₂
Molecular Weight:
307.53
Synonyms:
8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
SMILES:
CN1C2=C(N(C(Br)=N2)CCCl)C(NC1=O)=O
Tpsa:
72.68
Logp:
0.4246
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: C₁₀H₁₂N₂O₄
Molecular Weight: 224.21
Synonyms: 4-{[(5-hydroxypyridin-3-yl)carbonyl]amino}butanoic acid
SMILES: O=C(O)CCCNC(C1=CC(O)=CN=C1)=O
Tpsa: 99.52
Logp: 0.3818
H Acceptors: 4
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:
C₁₀H₁₂N₂O₄
Molecular Weight:
224.21
Synonyms:
4-{[(5-hydroxypyridin-3-yl)carbonyl]amino}butanoic acid
SMILES:
O=C(O)CCCNC(C1=CC(O)=CN=C1)=O
Tpsa:
99.52
Logp:
0.3818
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
5
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₁NO₅S₂
Molecular Weight: 313.35
Synonyms: None
SMILES: COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)O)SC=C2
Tpsa: 92.7
Logp: 2.2557
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 5
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₁NO₅S₂
Molecular Weight:
313.35
Synonyms:
None
SMILES:
COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)O)SC=C2
Tpsa:
92.7
Logp:
2.2557
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
5
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₅NO₄S₂
Molecular Weight: 325.40
Synonyms: None
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=C(C(=O)O)SC=C2)C
Tpsa: 83.47
Logp: 3.17236
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₅NO₄S₂
Molecular Weight:
325.40
Synonyms:
None
SMILES:
CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=C(C(=O)O)SC=C2)C
Tpsa:
83.47
Logp:
3.17236
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
4