CS-1003496
α-Amino-α-(hydroxymethyl)-4-octylbenzenebutanoic acid
Manufacturer: ChemScene
CAS Number: 296282-46-7
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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
C₁₉H₃₁NO₃
Molecular Weight
321.45
Synonyms
None
SMILES
O=C(O)C(N)(CO)CCC1=CC=C(C=C1)CCCCCCCC
Tpsa
83.55
Logp
3.2966
H Acceptors
3
H Donors
3
Rotatable Bonds
12
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 296282-46-7 | Fingolimod impurity C | A2B Chem | -- |
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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: C₁₉H₃₁NO₃
Molecular Weight: 321.45
Synonyms: None
SMILES: O=C(O)C(N)(CO)CCC1=CC=C(C=C1)CCCCCCCC
Tpsa: 83.55
Logp: 3.2966
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 12
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₃₁NO₃
Molecular Weight:
321.45
Synonyms:
None
SMILES:
O=C(O)C(N)(CO)CCC1=CC=C(C=C1)CCCCCCCC
Tpsa:
83.55
Logp:
3.2966
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₈O₄
Molecular Weight: 320.42
Synonyms: None
SMILES: O[C@H]1[C@@]2([C@@]([C@]3(C)C(=C1)C[C@@H](O)CC3)(CC[C@@]4(C)[C@]2([C@@H](O)CC4=O)[H])[H])[H]
Tpsa: 77.76
Logp: 1.8208
H Acceptors: 4
H Donors: 3
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:
C₁₉H₂₈O₄
Molecular Weight:
320.42
Synonyms:
None
SMILES:
O[C@H]1[C@@]2([C@@]([C@]3(C)C(=C1)C[C@@H](O)CC3)(CC[C@@]4(C)[C@]2([C@@H](O)CC4=O)[H])[H])[H]
Tpsa:
77.76
Logp:
1.8208
H Acceptors:
4
H Donors:
3
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: C₁₅H₁₇N₇O₄S
Molecular Weight: 391.40
Synonyms: None
SMILES: N#CCC1(N2N=CC(=C2)C=3N=CN=C(N)C3C(=O)O)CN(C1)S(=O)(=O)CC
Tpsa: 168.09
Logp: -0.10522
H Acceptors: 9
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₇N₇O₄S
Molecular Weight:
391.40
Synonyms:
None
SMILES:
N#CCC1(N2N=CC(=C2)C=3N=CN=C(N)C3C(=O)O)CN(C1)S(=O)(=O)CC
Tpsa:
168.09
Logp:
-0.10522
H Acceptors:
9
H Donors:
2
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₅N₇O₂S
Molecular Weight: 357.39
Synonyms: None
SMILES: N#CC=1C=NC=NC1C=2C=NN(C2)C3(CC#N)CN(C3)S(=O)(=O)CC
Tpsa: 128.56
Logp: 0.48606
H Acceptors: 8
H Donors: 0
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:
C₁₅H₁₅N₇O₂S
Molecular Weight:
357.39
Synonyms:
None
SMILES:
N#CC=1C=NC=NC1C=2C=NN(C2)C3(CC#N)CN(C3)S(=O)(=O)CC
Tpsa:
128.56
Logp:
0.48606
H Acceptors:
8
H Donors:
0
Rotatable Bonds:
5