CS-1001164
Sitagliptin Impurity 101
Manufacturer: ChemScene
CAS Number: 1360872-54-3
The price for this product is unavailable. Please request a quote
Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₄H₁₂F₂O₅
Molecular Weight
298.24
Synonyms
None
SMILES
O=C1OC(OC(=O)C1=C(O)CC2=CC=C(F)C(F)=C2)(C)C
Tpsa
72.83
Logp
2.1555
H Acceptors
5
H Donors
1
Rotatable Bonds
2
Related Products
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
Compare Similar Items
Show Difference
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₂F₂O₅
Molecular Weight: 298.24
Synonyms: None
SMILES: O=C1OC(OC(=O)C1=C(O)CC2=CC=C(F)C(F)=C2)(C)C
Tpsa: 72.83
Logp: 2.1555
H Acceptors: 5
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:
C₁₄H₁₂F₂O₅
Molecular Weight:
298.24
Synonyms:
None
SMILES:
O=C1OC(OC(=O)C1=C(O)CC2=CC=C(F)C(F)=C2)(C)C
Tpsa:
72.83
Logp:
2.1555
H Acceptors:
5
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: C₂₀H₂₃ClF₂O₃
Molecular Weight: 384.84
Synonyms: None
SMILES: F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)C(=O)[C@H](C)C3)[H])(C[C@H](F)C=4[C@]2(C)C=C(Cl)C(=O)C4)[H]
Tpsa: 54.37
Logp: 3.6868
H Acceptors: 3
H Donors: 1
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:
C₂₀H₂₃ClF₂O₃
Molecular Weight:
384.84
Synonyms:
None
SMILES:
F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)C(=O)[C@H](C)C3)[H])(C[C@H](F)C=4[C@]2(C)C=C(Cl)C(=O)C4)[H]
Tpsa:
54.37
Logp:
3.6868
H Acceptors:
3
H Donors:
1
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: C₃₃H₃₀N₄O₂
Molecular Weight: 514.62
Synonyms: None
SMILES: O=C(OC)C=1C=CC=CC1C=2C=CC(=CC2)CN3C(=NC=4C3=CC(=CC4C)C5=NC=6C=CC=CC6N5)CCC
Tpsa: 72.8
Logp: 7.34242
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₃₀N₄O₂
Molecular Weight:
514.62
Synonyms:
None
SMILES:
O=C(OC)C=1C=CC=CC1C=2C=CC(=CC2)CN3C(=NC=4C3=CC(=CC4C)C5=NC=6C=CC=CC6N5)CCC
Tpsa:
72.8
Logp:
7.34242
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₄H₅₄Cl₂F₄O₁₀
Molecular Weight: 889.79
Synonyms: None
SMILES: O=C1C=C2C(F)CC3C4CC(C)C(O)(C(=O)C(O)C5(Cl)C(=O)C=C6C(F)CC7C8CC(C)C(O)(C(=O)CO)C8(C)CC(O)C7(F)C6(C)C5)C4(C)CC(O)C3(F)C2(C=C1Cl)C
Tpsa: 189.66
Logp: 4.4476
H Acceptors: 10
H Donors: 6
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₄H₅₄Cl₂F₄O₁₀
Molecular Weight:
889.79
Synonyms:
None
SMILES:
O=C1C=C2C(F)CC3C4CC(C)C(O)(C(=O)C(O)C5(Cl)C(=O)C=C6C(F)CC7C8CC(C)C(O)(C(=O)CO)C8(C)CC(O)C7(F)C6(C)C5)C4(C)CC(O)C3(F)C2(C=C1Cl)C
Tpsa:
189.66
Logp:
4.4476
H Acceptors:
10
H Donors:
6
Rotatable Bonds:
5