CS-0140452
(S)-9-Hydroxy-8-methoxy-1-methyl-1,4,12a,13-tetrahydro-6H-benzo[e]imidazo[4',5':4,5]pyrido[1,2-a][1,4]diazepin-6-one
Manufacturer: ChemScene
CAS Number: 2417368-20-6
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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
C₁₆H₁₆N₄O₃
Molecular Weight
312.32
Synonyms
None
SMILES
O=C1N2[C@](CC(N(C)C=N3)=C3C2)([H])C=NC4=CC(O)=C(OC)C=C14
Tpsa
79.95
Logp
1.4173
H Acceptors
6
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: C₁₆H₁₆N₄O₃
Molecular Weight: 312.32
Synonyms: None
SMILES: O=C1N2[C@](CC(N(C)C=N3)=C3C2)([H])C=NC4=CC(O)=C(OC)C=C14
Tpsa: 79.95
Logp: 1.4173
H Acceptors: 6
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:
C₁₆H₁₆N₄O₃
Molecular Weight:
312.32
Synonyms:
None
SMILES:
O=C1N2[C@](CC(N(C)C=N3)=C3C2)([H])C=NC4=CC(O)=C(OC)C=C14
Tpsa:
79.95
Logp:
1.4173
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₄ClN₃O₂
Molecular Weight: 231.68
Synonyms: None
SMILES: O=C([C@@H]1CC2=C(N=CN2C)CN1)OC.[H]Cl
Tpsa: 56.15
Logp: 0.0292
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₄ClN₃O₂
Molecular Weight:
231.68
Synonyms:
None
SMILES:
O=C([C@@H]1CC2=C(N=CN2C)CN1)OC.[H]Cl
Tpsa:
56.15
Logp:
0.0292
H Acceptors:
5
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: C₁₀H₈Cl₂N₄S
Molecular Weight: 287.17
Synonyms: None
SMILES: NC1=NC(Cl)=CN=C1SC2=C(Cl)C(N)=CC=C2
Tpsa: 77.82
Logp: 3.099
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₈Cl₂N₄S
Molecular Weight:
287.17
Synonyms:
None
SMILES:
NC1=NC(Cl)=CN=C1SC2=C(Cl)C(N)=CC=C2
Tpsa:
77.82
Logp:
3.099
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD18803638
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₇H₄₈N₆O₆S₂
Molecular Weight: 736.94
Synonyms: None
SMILES: O[C@H]([C@@H](NC(OCC1=CN=CS1)=O)CC2=CC=CC=C2)C[C@@H](NC([C@H](C(C)C)NC(N(C)CC3=CSC(C(C)(O)C)=N3)=O)=O)CC4=CC=CC=C4
Tpsa: 166.01
Logp: 5.0092
H Acceptors: 10
H Donors: 5
Rotatable Bonds: 17
Purity:
98%
MDL No:
MFCD18803638
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₄₈N₆O₆S₂
Molecular Weight:
736.94
Synonyms:
None
SMILES:
O[C@H]([C@@H](NC(OCC1=CN=CS1)=O)CC2=CC=CC=C2)C[C@@H](NC([C@H](C(C)C)NC(N(C)CC3=CSC(C(C)(O)C)=N3)=O)=O)CC4=CC=CC=C4
Tpsa:
166.01
Logp:
5.0092
H Acceptors:
10
H Donors:
5
Rotatable Bonds:
17