CS-0146497
tert-Butyl 4-oxo-2-thioxo-1,2,3,4,5,6,8,9-octahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate
Manufacturer: ChemScene
CAS Number: 1065114-25-1
Select a Size
| Pack Size | SKU | Availability | Price |
|---|---|---|---|
| 5g | CS-0146497-5g | In Stock | ₹ 2,80,209.00 |
CS-0146497 - 5g
In Stock
Quantity
1
Base Price: ₹ 2,80,209.00
GST (18%): ₹ 50,437.62
Total Price: ₹ 3,30,646.62
Purity
98%
MDL No
MFCD30179611
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₁₉N₃O₃S
Molecular Weight
297.37
Synonyms
tert-butyl 4-oxo-2-thioxo-3,4,5,6,8,9-hexahydro-1H-pyrimido[4,5-d]azepine-7(2H)-carboxylate
SMILES
O=C(N1CCC(NC2=S)=C(C(N2)=O)CC1)OC(C)(C)C
Tpsa
78.19
Logp
1.76819
H Acceptors
4
H Donors
2
Rotatable Bonds
0
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: MFCD30179611
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₉N₃O₃S
Molecular Weight: 297.37
Synonyms: tert-butyl 4-oxo-2-thioxo-3,4,5,6,8,9-hexahydro-1H-pyrimido[4,5-d]azepine-7(2H)-carboxylate
SMILES: O=C(N1CCC(NC2=S)=C(C(N2)=O)CC1)OC(C)(C)C
Tpsa: 78.19
Logp: 1.76819
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD30179611
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₉N₃O₃S
Molecular Weight:
297.37
Synonyms:
tert-butyl 4-oxo-2-thioxo-3,4,5,6,8,9-hexahydro-1H-pyrimido[4,5-d]azepine-7(2H)-carboxylate
SMILES:
O=C(N1CCC(NC2=S)=C(C(N2)=O)CC1)OC(C)(C)C
Tpsa:
78.19
Logp:
1.76819
H Acceptors:
4
H Donors:
2
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: C₁₆H₁₇N₃O₃S
Molecular Weight: 331.39
Synonyms: Pyrido[3,4-d]pyrimidine-7(3H)-carboxylic acid, 4,5,6,8-tetrahydro-2-(methylthio)-4-oxo-, phenylmethyl ester
SMILES: O=C(N(C1)CCC2=C1N=C(SC)NC2=O)OCC3=CC=CC=C3
Tpsa: 75.29
Logp: 2.1867
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₇N₃O₃S
Molecular Weight:
331.39
Synonyms:
Pyrido[3,4-d]pyrimidine-7(3H)-carboxylic acid, 4,5,6,8-tetrahydro-2-(methylthio)-4-oxo-, phenylmethyl ester
SMILES:
O=C(N(C1)CCC2=C1N=C(SC)NC2=O)OCC3=CC=CC=C3
Tpsa:
75.29
Logp:
2.1867
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD16495894
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₉N₃O₂S
Molecular Weight: 281.37
Synonyms: 7-Boc-2-(methylthio)-5,6,7,8-tetrahydropyrido[3,4-D]pyrimidine
SMILES: O=C(N1CCC2=CN=C(SC)N=C2C1)OC(C)(C)C
Tpsa: 55.32
Logp: 2.4917
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD16495894
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₉N₃O₂S
Molecular Weight:
281.37
Synonyms:
7-Boc-2-(methylthio)-5,6,7,8-tetrahydropyrido[3,4-D]pyrimidine
SMILES:
O=C(N1CCC2=CN=C(SC)N=C2C1)OC(C)(C)C
Tpsa:
55.32
Logp:
2.4917
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
1
Purity: 95+%
MDL No: MFCD03424629
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₉ClO
Molecular Weight: 216.66
Synonyms: 4'-Chlorobiphenyl-2-carbaldehyde
SMILES: O=CC1=CC=CC=C1C2=CC=C(Cl)C=C2
Tpsa: 17.07
Logp: 3.8195
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 2
Purity:
95+%
MDL No:
MFCD03424629
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₉ClO
Molecular Weight:
216.66
Synonyms:
4'-Chlorobiphenyl-2-carbaldehyde
SMILES:
O=CC1=CC=CC=C1C2=CC=C(Cl)C=C2
Tpsa:
17.07
Logp:
3.8195
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
2