CS-0254822
Methyl (3-iodo-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)carbamate
Manufacturer: ChemScene
CAS Number: 2679840-45-8
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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
C₇H₆IN₅O₃
Molecular Weight
335.06
Synonyms
Carbamic acid, N-(6,7-dihydro-3-iodo-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-, methyl ester
SMILES
O=C(OC)NC1=NC2=C(NN=C2I)C(N1)=O
Tpsa
112.76
Logp
0.4291
H Acceptors
5
H Donors
3
Rotatable Bonds
1
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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: C₇H₆IN₅O₃
Molecular Weight: 335.06
Synonyms: Carbamic acid, N-(6,7-dihydro-3-iodo-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-, methyl ester
SMILES: O=C(OC)NC1=NC2=C(NN=C2I)C(N1)=O
Tpsa: 112.76
Logp: 0.4291
H Acceptors: 5
H Donors: 3
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:
C₇H₆IN₅O₃
Molecular Weight:
335.06
Synonyms:
Carbamic acid, N-(6,7-dihydro-3-iodo-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-, methyl ester
SMILES:
O=C(OC)NC1=NC2=C(NN=C2I)C(N1)=O
Tpsa:
112.76
Logp:
0.4291
H Acceptors:
5
H Donors:
3
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: C₁₉H₃₂BNO₄
Molecular Weight: 349.27
Synonyms: None
SMILES: O=C(N(CC1)CCC21CC(B3OC(C)(C)C(C)(C)O3)=C2)OC(C)(C)C
Tpsa: 48
Logp: 3.9652
H Acceptors: 4
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:
C₁₉H₃₂BNO₄
Molecular Weight:
349.27
Synonyms:
None
SMILES:
O=C(N(CC1)CCC21CC(B3OC(C)(C)C(C)(C)O3)=C2)OC(C)(C)C
Tpsa:
48
Logp:
3.9652
H Acceptors:
4
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: C₁₂H₁₈N₂OS
Molecular Weight: 238.35
Synonyms: None
SMILES: C[S@@](=NC1CCNCC1)(C2=CC=CC=C2)=O
Tpsa: 41.46
Logp: 1.8953
H Acceptors: 3
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:
C₁₂H₁₈N₂OS
Molecular Weight:
238.35
Synonyms:
None
SMILES:
C[S@@](=NC1CCNCC1)(C2=CC=CC=C2)=O
Tpsa:
41.46
Logp:
1.8953
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₃₂BNO₄
Molecular Weight: 349.27
Synonyms: 2-Boc-2-Aza-spiro3.5non-6-ene-7-boronic acid picol ester
SMILES: O=C(N1CC2(CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1)OC(C)(C)C
Tpsa: 48
Logp: 3.9652
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₃₂BNO₄
Molecular Weight:
349.27
Synonyms:
2-Boc-2-Aza-spiro3.5non-6-ene-7-boronic acid picol ester
SMILES:
O=C(N1CC2(CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1)OC(C)(C)C
Tpsa:
48
Logp:
3.9652
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1