CS-1002705
4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic acid
Manufacturer: ChemScene
CAS Number: 2183453-63-4
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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
C₂₀H₁₉ClN₂O₂
Molecular Weight
354.83
Synonyms
None
SMILES
O=C(O)N1CCC(=C2C=3N=CC=CC3CCC=4C=C(Cl)C=CC42)CC1
Tpsa
53.43
Logp
4.4093
H Acceptors
2
H Donors
1
Rotatable Bonds
0
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: C₂₀H₁₉ClN₂O₂
Molecular Weight: 354.83
Synonyms: None
SMILES: O=C(O)N1CCC(=C2C=3N=CC=CC3CCC=4C=C(Cl)C=CC42)CC1
Tpsa: 53.43
Logp: 4.4093
H Acceptors: 2
H Donors: 1
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:
C₂₀H₁₉ClN₂O₂
Molecular Weight:
354.83
Synonyms:
None
SMILES:
O=C(O)N1CCC(=C2C=3N=CC=CC3CCC=4C=C(Cl)C=CC42)CC1
Tpsa:
53.43
Logp:
4.4093
H Acceptors:
2
H Donors:
1
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: C₂₃H₂₉ClO₈
Molecular Weight: 468.92
Synonyms: None
SMILES: O(C)[C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=CC(C(OC)C3=CC=C(OCC)C=C3)=C(Cl)C=C2
Tpsa: 117.84
Logp: 1.7475
H Acceptors: 8
H Donors: 4
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:
C₂₃H₂₉ClO₈
Molecular Weight:
468.92
Synonyms:
None
SMILES:
O(C)[C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=CC(C(OC)C3=CC=C(OCC)C=C3)=C(Cl)C=C2
Tpsa:
117.84
Logp:
1.7475
H Acceptors:
8
H Donors:
4
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: C₂₅H₂₅NO₉
Molecular Weight: 483.47
Synonyms: None
SMILES: OC1=C2C(=C(O)C3=C1C=C(O)C[C@@H]3O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C(=O)C=5C(C2=O)=CC=CC5OC
Tpsa: 168.77
Logp: 2.0652
H Acceptors: 10
H Donors: 5
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₅NO₉
Molecular Weight:
483.47
Synonyms:
None
SMILES:
OC1=C2C(=C(O)C3=C1C=C(O)C[C@@H]3O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C(=O)C=5C(C2=O)=CC=CC5OC
Tpsa:
168.77
Logp:
2.0652
H Acceptors:
10
H Donors:
5
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₇N₃O₅S₃
Molecular Weight: 355.45
Synonyms: None
SMILES: O=S1(=O)C2=C(C=C(S(N)(=O)=O)S2)[C@H](N)CN1CCCOC
Tpsa: 132.79
Logp: -0.5639
H Acceptors: 7
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:
C₁₀H₁₇N₃O₅S₃
Molecular Weight:
355.45
Synonyms:
None
SMILES:
O=S1(=O)C2=C(C=C(S(N)(=O)=O)S2)[C@H](N)CN1CCCOC
Tpsa:
132.79
Logp:
-0.5639
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
5