CS-0009519
(1R,2R,4R)-1-benzyl 2-methyl 4-hydroxycyclopentane-1,2-dicarboxylate
Manufacturer: ChemScene
CAS Number: 1333964-81-0
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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
C₁₅H₁₈O₅
Molecular Weight
278.30
Synonyms
None
SMILES
O=C([C@H]1[C@H](C(OCC2=CC=CC=C2)=O)C[C@H](O)C1)OC
Tpsa
72.83
Logp
1.2899
H Acceptors
5
H Donors
1
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1333964-81-0 | (1R,2R,4R)-1-benzyl 2-methyl 4-hydroxycyclopentane-1,2-dicarboxylate | A2B Chem | -- |
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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: C₁₅H₁₈O₅
Molecular Weight: 278.30
Synonyms: None
SMILES: O=C([C@H]1[C@H](C(OCC2=CC=CC=C2)=O)C[C@H](O)C1)OC
Tpsa: 72.83
Logp: 1.2899
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₈O₅
Molecular Weight:
278.30
Synonyms:
None
SMILES:
O=C([C@H]1[C@H](C(OCC2=CC=CC=C2)=O)C[C@H](O)C1)OC
Tpsa:
72.83
Logp:
1.2899
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₃₂F₃N₃O₄
Molecular Weight: 495.53
Synonyms: (Rac)-KAD 3213; (Rac)-KMD 3213
SMILES: O=C(C1=CC(CC(NCCOC2=CC=CC=C2OCC(F)(F)F)C)=CC3=C1N(CCCO)CC3)N
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₂F₃N₃O₄
Molecular Weight:
495.53
Synonyms:
(Rac)-KAD 3213; (Rac)-KMD 3213
SMILES:
O=C(C1=CC(CC(NCCOC2=CC=CC=C2OCC(F)(F)F)C)=CC3=C1N(CCCO)CC3)N
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₀H₅₇N₅O₇
Molecular Weight: 719.91
Synonyms: None
SMILES: O=C([C@@H](NC([C@H](CC(C)C)NC([C@@H](NC(CN1CCOCC1)=O)CCC2=CC=CC=C2)=O)=O)CC3=CC=CC=C3)N[C@@H](C([C@]4(CO4)C)=O)CC(C)C
Tpsa: 158.47
Logp: 2.5835
H Acceptors: 8
H Donors: 4
Rotatable Bonds: 20
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₀H₅₇N₅O₇
Molecular Weight:
719.91
Synonyms:
None
SMILES:
O=C([C@@H](NC([C@H](CC(C)C)NC([C@@H](NC(CN1CCOCC1)=O)CCC2=CC=CC=C2)=O)=O)CC3=CC=CC=C3)N[C@@H](C([C@]4(CO4)C)=O)CC(C)C
Tpsa:
158.47
Logp:
2.5835
H Acceptors:
8
H Donors:
4
Rotatable Bonds:
20
Purity: 98%
MDL No: None
Storage: 4°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₄F₃N₅O
Molecular Weight: 349.31
Synonyms: (2R,3R)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILES: C[C@H](C1=NC=NC=C1F)[C@](C(C=CC(F)=C2)=C2F)(O)CN3C=NC=N3
Tpsa: 76.72
Logp: 2.1769
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
4°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₄F₃N₅O
Molecular Weight:
349.31
Synonyms:
(2R,3R)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILES:
C[C@H](C1=NC=NC=C1F)[C@](C(C=CC(F)=C2)=C2F)(O)CN3C=NC=N3
Tpsa:
76.72
Logp:
2.1769
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
5