CS-1000926
(5R,6S,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-5,9-diol
Manufacturer: ChemScene
CAS Number: 1289023-96-6
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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
C₁₆H₁₅F₂NO₂
Molecular Weight
291.29
Synonyms
None
SMILES
O[C@@H]1[C@@H](CC[C@@H](O)C=2C1=CC=CN2)C3=C(F)C(F)=CC=C3
Tpsa
53.35
Logp
3.0042
H Acceptors
3
H Donors
2
Rotatable Bonds
1
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: C₁₆H₁₅F₂NO₂
Molecular Weight: 291.29
Synonyms: None
SMILES: O[C@@H]1[C@@H](CC[C@@H](O)C=2C1=CC=CN2)C3=C(F)C(F)=CC=C3
Tpsa: 53.35
Logp: 3.0042
H Acceptors: 3
H Donors: 2
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:
C₁₆H₁₅F₂NO₂
Molecular Weight:
291.29
Synonyms:
None
SMILES:
O[C@@H]1[C@@H](CC[C@@H](O)C=2C1=CC=CN2)C3=C(F)C(F)=CC=C3
Tpsa:
53.35
Logp:
3.0042
H Acceptors:
3
H Donors:
2
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: C₁₉H₃₁NO₂Si
Molecular Weight: 333.54
Synonyms: None
SMILES: [Si](O[C@@H]1C=2C(C(=O)CCC1)=CC=CN2)(C(C)C)(C(C)C)C(C)C
Tpsa: 39.19
Logp: 5.6814
H Acceptors: 3
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:
C₁₉H₃₁NO₂Si
Molecular Weight:
333.54
Synonyms:
None
SMILES:
[Si](O[C@@H]1C=2C(C(=O)CCC1)=CC=CN2)(C(C)C)(C(C)C)C(C)C
Tpsa:
39.19
Logp:
5.6814
H Acceptors:
3
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: C₁₇H₁₈N₆O
Molecular Weight: 322.36
Synonyms: None
SMILES: N#CCC(N1N=CC(=C1)C=2N=CN=C3NC=C(O)C32)C4CCCC4
Tpsa: 103.41
Logp: 3.17198
H Acceptors: 6
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:
C₁₇H₁₈N₆O
Molecular Weight:
322.36
Synonyms:
None
SMILES:
N#CCC(N1N=CC(=C1)C=2N=CN=C3NC=C(O)C32)C4CCCC4
Tpsa:
103.41
Logp:
3.17198
H Acceptors:
6
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: C₁₇H₁₈N₆O
Molecular Weight: 322.36
Synonyms: None
SMILES: N#CCC(N1N=CC(=C1)C=2N=CN=C3NC(=O)CC32)C4CCCC4
Tpsa: 96.49
Logp: 2.47968
H Acceptors: 6
H Donors: 1
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:
C₁₇H₁₈N₆O
Molecular Weight:
322.36
Synonyms:
None
SMILES:
N#CCC(N1N=CC(=C1)C=2N=CN=C3NC(=O)CC32)C4CCCC4
Tpsa:
96.49
Logp:
2.47968
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
4