CS-0077625
tert-Butyl (S)-(9-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)carbamate
Manufacturer: ChemScene
CAS Number: 889458-98-4
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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
C₁₅H₁₉ClN₂O₄
Molecular Weight
326.78
Synonyms
Carbamic acid, N-[(3S)-9-chloro-2,3,4,5-tetrahydro-5-methyl-4-oxo-1,5-benzoxazepin-3-yl]-, 1,1-dimethylethyl ester
SMILES
O=C(OC(C)(C)C)N[C@H]1COC2=C(Cl)C=CC=C2N(C)C1=O
Tpsa
67.87
Logp
2.5885
H Acceptors
4
H Donors
1
Rotatable Bonds
1
Related Products
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: C₁₅H₁₉ClN₂O₄
Molecular Weight: 326.78
Synonyms: Carbamic acid, N-[(3S)-9-chloro-2,3,4,5-tetrahydro-5-methyl-4-oxo-1,5-benzoxazepin-3-yl]-, 1,1-dimethylethyl ester
SMILES: O=C(OC(C)(C)C)N[C@H]1COC2=C(Cl)C=CC=C2N(C)C1=O
Tpsa: 67.87
Logp: 2.5885
H Acceptors: 4
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:
C₁₅H₁₉ClN₂O₄
Molecular Weight:
326.78
Synonyms:
Carbamic acid, N-[(3S)-9-chloro-2,3,4,5-tetrahydro-5-methyl-4-oxo-1,5-benzoxazepin-3-yl]-, 1,1-dimethylethyl ester
SMILES:
O=C(OC(C)(C)C)N[C@H]1COC2=C(Cl)C=CC=C2N(C)C1=O
Tpsa:
67.87
Logp:
2.5885
H Acceptors:
4
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: C₈H₁₂O₅
Molecular Weight: 188.18
Synonyms: Isosorbide-2-acetate
SMILES: O[C@H]1[C@]2(OC[C@H](OC(C)=O)[C@]2(OC1)[H])[H]
Tpsa: 64.99
Logp: -0.9234
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:
C₈H₁₂O₅
Molecular Weight:
188.18
Synonyms:
Isosorbide-2-acetate
SMILES:
O[C@H]1[C@]2(OC[C@H](OC(C)=O)[C@]2(OC1)[H])[H]
Tpsa:
64.99
Logp:
-0.9234
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1
Purity: 97%
MDL No: MFCD00173802
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₃ClN₂S
Molecular Weight: 158.61
Synonyms: None
SMILES: ClC1=CN2C(SC=C2)=N1
Tpsa: 17.3
Logp: 2.0492
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
97%
MDL No:
MFCD00173802
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₃ClN₂S
Molecular Weight:
158.61
Synonyms:
None
SMILES:
ClC1=CN2C(SC=C2)=N1
Tpsa:
17.3
Logp:
2.0492
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: MFCD13193124
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₁NO₂
Molecular Weight: 165.19
Synonyms: None
SMILES: [H][C@]12[C@@]([H])([C@@H]3CC[C@H]2C3)C(NC1=O)=O
Tpsa: 46.17
Logp: 0.3051
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD13193124
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₁NO₂
Molecular Weight:
165.19
Synonyms:
None
SMILES:
[H][C@]12[C@@]([H])([C@@H]3CC[C@H]2C3)C(NC1=O)=O
Tpsa:
46.17
Logp:
0.3051
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0