CS-0077683
tert-Butyl (S)-(9-chloro-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)carbamate
Manufacturer: ChemScene
CAS Number: 889458-97-3
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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
C₁₄H₁₇ClN₂O₄
Molecular Weight
312.75
Synonyms
Carbamic acid, N-[(3S)-9-chloro-2,3,4,5-tetrahydro-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=C2NC1=O
Tpsa
76.66
Logp
2.5642
H Acceptors
4
H Donors
2
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: C₁₄H₁₇ClN₂O₄
Molecular Weight: 312.75
Synonyms: Carbamic acid, N-[(3S)-9-chloro-2,3,4,5-tetrahydro-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=C2NC1=O
Tpsa: 76.66
Logp: 2.5642
H Acceptors: 4
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:
C₁₄H₁₇ClN₂O₄
Molecular Weight:
312.75
Synonyms:
Carbamic acid, N-[(3S)-9-chloro-2,3,4,5-tetrahydro-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=C2NC1=O
Tpsa:
76.66
Logp:
2.5642
H Acceptors:
4
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: C₁₁H₁₇NO₃
Molecular Weight: 211.26
Synonyms: None
SMILES: O[C@H]1CN(C(OC(C)(C)C)=O)C[C@@H]1C#C
Tpsa: 49.77
Logp: 0.8474
H Acceptors: 3
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:
C₁₁H₁₇NO₃
Molecular Weight:
211.26
Synonyms:
None
SMILES:
O[C@H]1CN(C(OC(C)(C)C)=O)C[C@@H]1C#C
Tpsa:
49.77
Logp:
0.8474
H Acceptors:
3
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: C₁₂H₂₁NO₄
Molecular Weight: 243.30
Synonyms: None
SMILES: O=C(O)[C@H]1CN(C(OC(C)(C)C)=O)C[C@@H]1CC
Tpsa: 66.84
Logp: 1.9641
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₁NO₄
Molecular Weight:
243.30
Synonyms:
None
SMILES:
O=C(O)[C@H]1CN(C(OC(C)(C)C)=O)C[C@@H]1CC
Tpsa:
66.84
Logp:
1.9641
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₁₈N₄O
Molecular Weight: 354.40
Synonyms: None
SMILES: O=C(NN)C1=CC=C(C2=NC(C3=CC=CC=C3)=C(C4=CC=CC=C4)N2)C=C1
Tpsa: 83.8
Logp: 4.0142
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 4
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₁₈N₄O
Molecular Weight:
354.40
Synonyms:
None
SMILES:
O=C(NN)C1=CC=C(C2=NC(C3=CC=CC=C3)=C(C4=CC=CC=C4)N2)C=C1
Tpsa:
83.8
Logp:
4.0142
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
4