CS-1078897
Methyl (3S,9aR)-7-hydroxy-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxylate
Manufacturer: ChemScene
CAS Number: 2916420-62-5
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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
C₁₁H₁₇NO₄
Molecular Weight
227.26
Synonyms
None
SMILES
C(OC)(=O)[C@H]1N2[C@](CC1)(CCC(O)CC2=O)[H]
Tpsa
66.84
Logp
0.0638
H Acceptors
4
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: C₁₁H₁₇NO₄
Molecular Weight: 227.26
Synonyms: None
SMILES: C(OC)(=O)[C@H]1N2[C@](CC1)(CCC(O)CC2=O)[H]
Tpsa: 66.84
Logp: 0.0638
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:
C₁₁H₁₇NO₄
Molecular Weight:
227.26
Synonyms:
None
SMILES:
C(OC)(=O)[C@H]1N2[C@](CC1)(CCC(O)CC2=O)[H]
Tpsa:
66.84
Logp:
0.0638
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: C₉H₇BrN₂O₂
Molecular Weight: 255.07
Synonyms: None
SMILES: O=C(O)CC1=CNC=2C=NC=C(Br)C21
Tpsa: 65.98
Logp: 1.9525
H Acceptors: 2
H Donors: 2
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:
C₉H₇BrN₂O₂
Molecular Weight:
255.07
Synonyms:
None
SMILES:
O=C(O)CC1=CNC=2C=NC=C(Br)C21
Tpsa:
65.98
Logp:
1.9525
H Acceptors:
2
H Donors:
2
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: C₁₃H₁₅FN₂O₂S
Molecular Weight: 282.33
Synonyms: None
SMILES: O=C1C2=C(SCC1N(C(=O)C)C)C(=C(F)C=C2N)C
Tpsa: 63.4
Logp: 1.85162
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:
C₁₃H₁₅FN₂O₂S
Molecular Weight:
282.33
Synonyms:
None
SMILES:
O=C1C2=C(SCC1N(C(=O)C)C)C(=C(F)C=C2N)C
Tpsa:
63.4
Logp:
1.85162
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: C₁₃H₂₄N₂O₃
Molecular Weight: 256.34
Synonyms: None
SMILES: O=C(OC(C)(C)C)N1CC2N(CCO)C(C1)CC2
Tpsa: 53.01
Logp: 1.0624
H Acceptors: 4
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:
C₁₃H₂₄N₂O₃
Molecular Weight:
256.34
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N1CC2N(CCO)C(C1)CC2
Tpsa:
53.01
Logp:
1.0624
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2