CS-1002924
Ethyl 4-[3-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)-4-nitrobutyl]benzoate
Manufacturer: ChemScene
CAS Number: 229470-22-8
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₇H₂₁N₅O₅
Molecular Weight
375.38
Synonyms
None
SMILES
O=C1N=C(N)NC(N)=C1C(CN(=O)=O)CCC2=CC=C(C=C2)C(=O)OCC
Tpsa
167.23
Logp
1.1041
H Acceptors
8
H Donors
3
Rotatable Bonds
8
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 229470-22-8 | 4-[3-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-4-nitrobutyl]benzoic acid ethyl ester | A2B Chem | -- |
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₁N₅O₅
Molecular Weight: 375.38
Synonyms: None
SMILES: O=C1N=C(N)NC(N)=C1C(CN(=O)=O)CCC2=CC=C(C=C2)C(=O)OCC
Tpsa: 167.23
Logp: 1.1041
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 8
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₁N₅O₅
Molecular Weight:
375.38
Synonyms:
None
SMILES:
O=C1N=C(N)NC(N)=C1C(CN(=O)=O)CCC2=CC=C(C=C2)C(=O)OCC
Tpsa:
167.23
Logp:
1.1041
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₁BrFNO₂
Molecular Weight: 324.15
Synonyms: None
SMILES: O=C(OCC=1C=CC=CC1)NC=2C=CC=C(F)C2Br
Tpsa: 38.33
Logp: 4.3369
H Acceptors: 2
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:
C₁₄H₁₁BrFNO₂
Molecular Weight:
324.15
Synonyms:
None
SMILES:
O=C(OCC=1C=CC=CC1)NC=2C=CC=C(F)C2Br
Tpsa:
38.33
Logp:
4.3369
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₂₆N₂O₇S
Molecular Weight: 546.59
Synonyms: None
SMILES: C(=O)(N1CC=2C(=CC(C(N[C@@H](CC3=CC(S(C)(=O)=O)=CC=C3)C(O)=O)=O)=CC2)CC1)C=4C=C5C(=CC4)C=CO5
Tpsa: 133.99
Logp: 3.4605
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 7
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₂₆N₂O₇S
Molecular Weight:
546.59
Synonyms:
None
SMILES:
C(=O)(N1CC=2C(=CC(C(N[C@@H](CC3=CC(S(C)(=O)=O)=CC=C3)C(O)=O)=O)=CC2)CC1)C=4C=C5C(=CC4)C=CO5
Tpsa:
133.99
Logp:
3.4605
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
7
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₁H₂₈Cl₂N₂O₇S
Molecular Weight: 643.53
Synonyms: None
SMILES: ClC1=C2C(CN(C(=O)C=3C=C4C(=CC3)C=CO4)CC2)=CC(Cl)=C1C(N[C@@H](CC5=CC(S(C)(=O)=O)=CC=C5)C(OCC)=O)=O
Tpsa: 122.99
Logp: 5.2458
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 8
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₂₈Cl₂N₂O₇S
Molecular Weight:
643.53
Synonyms:
None
SMILES:
ClC1=C2C(CN(C(=O)C=3C=C4C(=CC3)C=CO4)CC2)=CC(Cl)=C1C(N[C@@H](CC5=CC(S(C)(=O)=O)=CC=C5)C(OCC)=O)=O
Tpsa:
122.99
Logp:
5.2458
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
8