CS-1001397
(3S)-9-Fluoro-2,3-dihydro-3-methyl-10-(1-piperazinyl)-7H-pyrido[1,2,3-de]-1,4-benzoxazin-7-one
Manufacturer: ChemScene
CAS Number: 1430222-73-3
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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
C₁₆H₁₈FN₃O₂
Molecular Weight
303.33
Synonyms
None
SMILES
O=C1C=2C3=C(C(=C(F)C2)N4CCNCC4)OC[C@H](C)N3C=C1
Tpsa
46.5
Logp
1.5036
H Acceptors
5
H Donors
1
Rotatable Bonds
1
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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: C₁₆H₁₈FN₃O₂
Molecular Weight: 303.33
Synonyms: None
SMILES: O=C1C=2C3=C(C(=C(F)C2)N4CCNCC4)OC[C@H](C)N3C=C1
Tpsa: 46.5
Logp: 1.5036
H Acceptors: 5
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:
C₁₆H₁₈FN₃O₂
Molecular Weight:
303.33
Synonyms:
None
SMILES:
O=C1C=2C3=C(C(=C(F)C2)N4CCNCC4)OC[C@H](C)N3C=C1
Tpsa:
46.5
Logp:
1.5036
H Acceptors:
5
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: C₁₁H₁₅NO₃
Molecular Weight: 209.24
Synonyms: None
SMILES: O=C1C=CC(=CC1=O)C(O)CNC(C)C
Tpsa: 66.4
Logp: -0.0203
H Acceptors: 4
H Donors: 2
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:
C₁₁H₁₅NO₃
Molecular Weight:
209.24
Synonyms:
None
SMILES:
O=C1C=CC(=CC1=O)C(O)CNC(C)C
Tpsa:
66.4
Logp:
-0.0203
H Acceptors:
4
H Donors:
2
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: C₁₂H₁₉BrN₂O₄
Molecular Weight: 335.19
Synonyms: None
SMILES: O=C(OCC)C1=C(Br)C(=NN1CCOCCOC)C
Tpsa: 62.58
Logp: 1.79372
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₉BrN₂O₄
Molecular Weight:
335.19
Synonyms:
None
SMILES:
O=C(OCC)C1=C(Br)C(=NN1CCOCCOC)C
Tpsa:
62.58
Logp:
1.79372
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₃₁F₃N₂O₅
Molecular Weight: 496.52
Synonyms: None
SMILES: C(CCO)N1C=2C(=CC(C[C@H](NCCOC3=C(OCC(F)(F)F)C=CC=C3)C)=CC2C(O)=O)CC1
Tpsa: 91.26
Logp: 3.6704
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₁F₃N₂O₅
Molecular Weight:
496.52
Synonyms:
None
SMILES:
C(CCO)N1C=2C(=CC(C[C@H](NCCOC3=C(OCC(F)(F)F)C=CC=C3)C)=CC2C(O)=O)CC1
Tpsa:
91.26
Logp:
3.6704
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
13