CS-1001644
Fosaprepitant Impurity 30
Manufacturer: ChemScene
CAS Number: 15351-31-2
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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
C₁₂H₂₇NO₁₀
Molecular Weight
345.34
Synonyms
None
SMILES
[C@H]([C@@H]([C@@H](CO)O)O)([C@H](CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O
Tpsa
214.33
Logp
-6.5522
H Acceptors
11
H Donors
11
Rotatable Bonds
12
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
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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: C₁₂H₂₇NO₁₀
Molecular Weight: 345.34
Synonyms: None
SMILES: [C@H]([C@@H]([C@@H](CO)O)O)([C@H](CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O
Tpsa: 214.33
Logp: -6.5522
H Acceptors: 11
H Donors: 11
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:
C₁₂H₂₇NO₁₀
Molecular Weight:
345.34
Synonyms:
None
SMILES:
[C@H]([C@@H]([C@@H](CO)O)O)([C@H](CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O
Tpsa:
214.33
Logp:
-6.5522
H Acceptors:
11
H Donors:
11
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: C₂₄H₄₀O₄
Molecular Weight: 392.57
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](C[C@H]3O)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]
Tpsa: 77.76
Logp: 4.4779
H Acceptors: 3
H Donors: 3
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:
C₂₄H₄₀O₄
Molecular Weight:
392.57
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](C[C@H]3O)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]
Tpsa:
77.76
Logp:
4.4779
H Acceptors:
3
H Donors:
3
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: C₃₂H₃₀Br₂N₂O₆S
Molecular Weight: 730.46
Synonyms: None
SMILES: O=C(OCC)C=1C=2C=C(O)C(Br)=CC2N(C1COC3=CC4=C(C=C3Br)N(C(=C4C(=O)OCC)CSC=5C=CC=CC5)C)C
Tpsa: 91.92
Logp: 8.1253
H Acceptors: 9
H Donors: 1
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₀Br₂N₂O₆S
Molecular Weight:
730.46
Synonyms:
None
SMILES:
O=C(OCC)C=1C=2C=C(O)C(Br)=CC2N(C1COC3=CC4=C(C=C3Br)N(C(=C4C(=O)OCC)CSC=5C=CC=CC5)C)C
Tpsa:
91.92
Logp:
8.1253
H Acceptors:
9
H Donors:
1
Rotatable Bonds:
10
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₁₉NO₇
Molecular Weight: 409.39
Synonyms: None
SMILES: O=C(OC)C=1N=C(C=2C=C(OC=3C=CC=CC3)C=CC2C1OC(=O)C)COC(=O)C
Tpsa: 101.02
Logp: 3.8021
H Acceptors: 8
H Donors: 0
Rotatable Bonds: 6
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₁₉NO₇
Molecular Weight:
409.39
Synonyms:
None
SMILES:
O=C(OC)C=1N=C(C=2C=C(OC=3C=CC=CC3)C=CC2C1OC(=O)C)COC(=O)C
Tpsa:
101.02
Logp:
3.8021
H Acceptors:
8
H Donors:
0
Rotatable Bonds:
6