CS-1013862
alpha-Amino Acid Fingolimod Impurity
Manufacturer: ChemScene
CAS Number: 596820-19-8
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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
C₁₈H₂₉NO₂
Molecular Weight
291.43
Synonyms
None
SMILES
O=C(O)C(N)CCC1=CC=C(C=C1)CCCCCCCC
Tpsa
63.32
Logp
3.9341
H Acceptors
2
H Donors
2
Rotatable Bonds
11
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 596820-19-8 | α-Amino-4-octylbenzenebutanoicAcid | 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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₉NO₂
Molecular Weight: 291.43
Synonyms: None
SMILES: O=C(O)C(N)CCC1=CC=C(C=C1)CCCCCCCC
Tpsa: 63.32
Logp: 3.9341
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₉NO₂
Molecular Weight:
291.43
Synonyms:
None
SMILES:
O=C(O)C(N)CCC1=CC=C(C=C1)CCCCCCCC
Tpsa:
63.32
Logp:
3.9341
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
11
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₇H₆₇NO₃
Molecular Weight: 573.93
Synonyms: None
SMILES: O=C(NC(CO)(CO)CCC1=CC=C(C=C1)CCCCCCCC)CCCCCCCCCCCCCCCCC
Tpsa: 69.56
Logp: 9.6233
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 29
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₆₇NO₃
Molecular Weight:
573.93
Synonyms:
None
SMILES:
O=C(NC(CO)(CO)CCC1=CC=C(C=C1)CCCCCCCC)CCCCCCCCCCCCCCCCC
Tpsa:
69.56
Logp:
9.6233
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
29
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₉FO₇
Molecular Weight: 448.48
Synonyms: None
SMILES: C(C(O)=O)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(C)(C)O2)[H])([C@]4([C@]([C@@H](O)C3)([C@]5(C)C([C@@H](F)C4)=CC(=O)C=C5)[H])[H])[H]
Tpsa: 110.13
Logp: 2.367
H Acceptors: 6
H Donors: 2
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:
C₂₄H₂₉FO₇
Molecular Weight:
448.48
Synonyms:
None
SMILES:
C(C(O)=O)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(C)(C)O2)[H])([C@]4([C@]([C@@H](O)C3)([C@]5(C)C([C@@H](F)C4)=CC(=O)C=C5)[H])[H])[H]
Tpsa:
110.13
Logp:
2.367
H Acceptors:
6
H Donors:
2
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: C₂₄H₂₉ClF₂O₅S
Molecular Weight: 503.00
Synonyms: None
SMILES: C[C@@]12[C@](C(SCCl)=O)(OC(C)=O)[C@H](C)C[C@]1([C@]3([C@](F)([C@@H](O)C2)[C@]4(C)C([C@@H](F)C3)=CC(=O)C=C4)[H])[H]
Tpsa: 80.67
Logp: 4.3092
H Acceptors: 6
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:
C₂₄H₂₉ClF₂O₅S
Molecular Weight:
503.00
Synonyms:
None
SMILES:
C[C@@]12[C@](C(SCCl)=O)(OC(C)=O)[C@H](C)C[C@]1([C@]3([C@](F)([C@@H](O)C2)[C@]4(C)C([C@@H](F)C3)=CC(=O)C=C4)[H])[H]
Tpsa:
80.67
Logp:
4.3092
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
3