CS-0361149
8-Mercapto-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Manufacturer: ChemScene
CAS Number: 476480-17-8
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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
C₁₈H₁₆N₄O₂S
Molecular Weight
352.41
Synonyms
8-Mercapto-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
SMILES
CN1C2=C(C(=O)N(C)C1=O)N(CC3=CC=CC4=CC=CC=C43)C(=N2)S
Tpsa
61.82
Logp
1.9239
H Acceptors
7
H Donors
1
Rotatable Bonds
2
SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
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: C₁₈H₁₆N₄O₂S
Molecular Weight: 352.41
Synonyms: 8-Mercapto-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
SMILES: CN1C2=C(C(=O)N(C)C1=O)N(CC3=CC=CC4=CC=CC=C43)C(=N2)S
Tpsa: 61.82
Logp: 1.9239
H Acceptors: 7
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:
C₁₈H₁₆N₄O₂S
Molecular Weight:
352.41
Synonyms:
8-Mercapto-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
SMILES:
CN1C2=C(C(=O)N(C)C1=O)N(CC3=CC=CC4=CC=CC=C43)C(=N2)S
Tpsa:
61.82
Logp:
1.9239
H Acceptors:
7
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: C₁₃H₁₁NO₄
Molecular Weight: 245.23
Synonyms: 8-methoxy-2H-[1,4]dioxepino[6,5-c]quinolin-5(3H)-one
SMILES: COC1=CC=CC2=C1N=CC3=C2OCCOC3=O
Tpsa: 57.65
Logp: 1.7926
H Acceptors: 5
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:
C₁₃H₁₁NO₄
Molecular Weight:
245.23
Synonyms:
8-methoxy-2H-[1,4]dioxepino[6,5-c]quinolin-5(3H)-one
SMILES:
COC1=CC=CC2=C1N=CC3=C2OCCOC3=O
Tpsa:
57.65
Logp:
1.7926
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₀N₂O₃
Molecular Weight: 218.21
Synonyms: 8-methoxy-2-methyl-5-nitro-quinoline
SMILES: CC1=NC2=C(C=C1)C(=CC=C2OC)[N+](=O)[O-]
Tpsa: 65.26
Logp: 2.46002
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₀N₂O₃
Molecular Weight:
218.21
Synonyms:
8-methoxy-2-methyl-5-nitro-quinoline
SMILES:
CC1=NC2=C(C=C1)C(=CC=C2OC)[N+](=O)[O-]
Tpsa:
65.26
Logp:
2.46002
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₃N₃O
Molecular Weight: 227.26
Synonyms: None
SMILES: NC1=NC=C2CCC3=CC(OC)=CC=C3C2=N1
Tpsa: 61.03
Logp: 1.833
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₃N₃O
Molecular Weight:
227.26
Synonyms:
None
SMILES:
NC1=NC=C2CCC3=CC(OC)=CC=C3C2=N1
Tpsa:
61.03
Logp:
1.833
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1