CS-0571213
(4-Amino-2-methylphenyl)(7-chloro-2,3-dihydro-1H-benzo[b]azepin-1-yl)methanone
Manufacturer: ChemScene
CAS Number: 1859917-22-8
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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
C₁₈H₁₇ClN₂O
Molecular Weight
312.79
Synonyms
Tolvaptan-001
SMILES
O=C(C1=CC=C(N)C=C1C)N2C=3C=CC(Cl)=CC3C=CCC2
Tpsa
46.33
Logp
4.29432
H Acceptors
2
H Donors
1
Rotatable Bonds
1
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SAFETY INFORMATION
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: C₁₈H₁₇ClN₂O
Molecular Weight: 312.79
Synonyms: Tolvaptan-001
SMILES: O=C(C1=CC=C(N)C=C1C)N2C=3C=CC(Cl)=CC3C=CCC2
Tpsa: 46.33
Logp: 4.29432
H Acceptors: 2
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:
C₁₈H₁₇ClN₂O
Molecular Weight:
312.79
Synonyms:
Tolvaptan-001
SMILES:
O=C(C1=CC=C(N)C=C1C)N2C=3C=CC(Cl)=CC3C=CCC2
Tpsa:
46.33
Logp:
4.29432
H Acceptors:
2
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: C₂₁H₂₃F₅NO₅P
Molecular Weight: 495.38
Synonyms: None
SMILES: CCC(CC)COC(=O)[C@H](C)NP(=O)(OC1=CC=CC=C1)OC2=C(C(=C(C(=C2F)F)F)F)F
Tpsa: 73.86
Logp: 5.9055
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₃F₅NO₅P
Molecular Weight:
495.38
Synonyms:
None
SMILES:
CCC(CC)COC(=O)[C@H](C)NP(=O)(OC1=CC=CC=C1)OC2=C(C(=C(C(=C2F)F)F)F)F
Tpsa:
73.86
Logp:
5.9055
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈O₅
Molecular Weight: 196.16
Synonyms: vanilglycolic acid
SMILES: COC1=C(C=CC(=C1)C(=O)C(=O)O)O
Tpsa: 83.83
Logp: 0.6681
H Acceptors: 4
H Donors: 2
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:
C₉H₈O₅
Molecular Weight:
196.16
Synonyms:
vanilglycolic acid
SMILES:
COC1=C(C=CC(=C1)C(=O)C(=O)O)O
Tpsa:
83.83
Logp:
0.6681
H Acceptors:
4
H Donors:
2
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: C₁₇H₁₃NO₄
Molecular Weight: 295.29
Synonyms: None
SMILES: COC(=O)C1=CC2=C(C=C1)C(=C(N2)O)C(=O)C3=CC=CC=C3
Tpsa: 79.39
Logp: 2.8911
H Acceptors: 4
H Donors: 2
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:
C₁₇H₁₃NO₄
Molecular Weight:
295.29
Synonyms:
None
SMILES:
COC(=O)C1=CC2=C(C=C1)C(=C(N2)O)C(=O)C3=CC=CC=C3
Tpsa:
79.39
Logp:
2.8911
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3