CS-0534655
(5S,8S,10aR)-5-((tert-Butoxycarbonyl)amino)-3-(2,2-difluoroethyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2497590-19-7
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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
C₁₇H₂₇F₂N₃O₅
Molecular Weight
391.41
Synonyms
None
SMILES
OC([C@H]1N2[C@](CCN(C[C@@H](C2=O)NC(OC(C)(C)C)=O)CC(F)F)([H])CC1)=O
Tpsa
99.18
Logp
1.2947
H Acceptors
5
H Donors
2
Rotatable Bonds
4
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: C₁₇H₂₇F₂N₃O₅
Molecular Weight: 391.41
Synonyms: None
SMILES: OC([C@H]1N2[C@](CCN(C[C@@H](C2=O)NC(OC(C)(C)C)=O)CC(F)F)([H])CC1)=O
Tpsa: 99.18
Logp: 1.2947
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₇F₂N₃O₅
Molecular Weight:
391.41
Synonyms:
None
SMILES:
OC([C@H]1N2[C@](CCN(C[C@@H](C2=O)NC(OC(C)(C)C)=O)CC(F)F)([H])CC1)=O
Tpsa:
99.18
Logp:
1.2947
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₅F₃N₂
Molecular Weight: 210.16
Synonyms: None
SMILES: N#CC1=CC=C2NC=CC2=C1C(F)(F)F
Tpsa: 39.58
Logp: 3.05838
H Acceptors: 1
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:
C₁₀H₅F₃N₂
Molecular Weight:
210.16
Synonyms:
None
SMILES:
N#CC1=CC=C2NC=CC2=C1C(F)(F)F
Tpsa:
39.58
Logp:
3.05838
H Acceptors:
1
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: C₉H₁₁BrN₂O₂
Molecular Weight: 259.10
Synonyms: ethyl 2-bromo-4H,5H,6H-pyrrolo[1,2-b]pyrazole-3-carboxylate
SMILES: O=C(C1=C(CCC2)N2N=C1Br)OCC
Tpsa: 44.12
Logp: 1.7685
H Acceptors: 4
H Donors: 0
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:
C₉H₁₁BrN₂O₂
Molecular Weight:
259.10
Synonyms:
ethyl 2-bromo-4H,5H,6H-pyrrolo[1,2-b]pyrazole-3-carboxylate
SMILES:
O=C(C1=C(CCC2)N2N=C1Br)OCC
Tpsa:
44.12
Logp:
1.7685
H Acceptors:
4
H Donors:
0
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: C₉H₁₀ClNO₂
Molecular Weight: 199.63
Synonyms: methyl 5-amino-2-chlorophenylacetate
SMILES: O=C(OC)CC1=CC(N)=CC=C1Cl
Tpsa: 52.32
Logp: 1.6377
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:
C₉H₁₀ClNO₂
Molecular Weight:
199.63
Synonyms:
methyl 5-amino-2-chlorophenylacetate
SMILES:
O=C(OC)CC1=CC(N)=CC=C1Cl
Tpsa:
52.32
Logp:
1.6377
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2