CS-1003561
1-(4-Fluorophenyl)-4-[(6bR,10aS)-2,3,6b,9,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl]-1-butanone
Manufacturer: ChemScene
CAS Number: 313368-82-0
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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
C₂₃H₂₆FN₃O
Molecular Weight
379.47
Synonyms
None
SMILES
C(CCC(=O)C1=CC=C(F)C=C1)N2C[C@]3(C=4C=5N([C@]3(CC2)[H])CCNC5C=CC4)[H]
Tpsa
35.58
Logp
3.8922
H Acceptors
4
H Donors
1
Rotatable Bonds
5
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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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₂₆FN₃O
Molecular Weight: 379.47
Synonyms: None
SMILES: C(CCC(=O)C1=CC=C(F)C=C1)N2C[C@]3(C=4C=5N([C@]3(CC2)[H])CCNC5C=CC4)[H]
Tpsa: 35.58
Logp: 3.8922
H Acceptors: 4
H Donors: 1
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:
C₂₃H₂₆FN₃O
Molecular Weight:
379.47
Synonyms:
None
SMILES:
C(CCC(=O)C1=CC=C(F)C=C1)N2C[C@]3(C=4C=5N([C@]3(CC2)[H])CCNC5C=CC4)[H]
Tpsa:
35.58
Logp:
3.8922
H Acceptors:
4
H Donors:
1
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: C₂₄H₂₈FN₃O
Molecular Weight: 393.50
Synonyms: None
SMILES: CN1C2=C3C([C@@]4([C@](N3CC1)(CCN(CCCC(=O)C5=CC=C(F)C=C5)C4)[H])[H])=CC=C2
Tpsa: 26.79
Logp: 3.9165
H Acceptors: 4
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:
C₂₄H₂₈FN₃O
Molecular Weight:
393.50
Synonyms:
None
SMILES:
CN1C2=C3C([C@@]4([C@](N3CC1)(CCN(CCCC(=O)C5=CC=C(F)C=C5)C4)[H])[H])=CC=C2
Tpsa:
26.79
Logp:
3.9165
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₇N₃O₃
Molecular Weight: 299.32
Synonyms: None
SMILES: O=C(OCC)N1CC=2C=3C=CC=C4NC(=O)CN(C43)C2CC1
Tpsa: 63.57
Logp: 2.108
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₇N₃O₃
Molecular Weight:
299.32
Synonyms:
None
SMILES:
O=C(OCC)N1CC=2C=3C=CC=C4NC(=O)CN(C43)C2CC1
Tpsa:
63.57
Logp:
2.108
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₉NO₂
Molecular Weight: 173.25
Synonyms: None
SMILES: [C@H]([C@@H](C(C)C)C)(CC(O)=O)CN
Tpsa: 63.32
Logp: 1.3281
H Acceptors: 2
H Donors: 2
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:
C₉H₁₉NO₂
Molecular Weight:
173.25
Synonyms:
None
SMILES:
[C@H]([C@@H](C(C)C)C)(CC(O)=O)CN
Tpsa:
63.32
Logp:
1.3281
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
5