CS-1085665
(4S,5S)-5-(Benzyloxy)oxepane-4-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2940871-97-4
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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
C₁₄H₁₈O₄
Molecular Weight
250.29
Synonyms
None
SMILES
O(CC1=CC=CC=C1)[C@@H]2[C@@H](C(O)=O)CCOCC2
Tpsa
55.76
Logp
2.083
H Acceptors
3
H Donors
1
Rotatable Bonds
4
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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: C₁₄H₁₈O₄
Molecular Weight: 250.29
Synonyms: None
SMILES: O(CC1=CC=CC=C1)[C@@H]2[C@@H](C(O)=O)CCOCC2
Tpsa: 55.76
Logp: 2.083
H Acceptors: 3
H Donors: 1
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:
C₁₄H₁₈O₄
Molecular Weight:
250.29
Synonyms:
None
SMILES:
O(CC1=CC=CC=C1)[C@@H]2[C@@H](C(O)=O)CCOCC2
Tpsa:
55.76
Logp:
2.083
H Acceptors:
3
H Donors:
1
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: C₁₃H₁₄O₃
Molecular Weight: 218.25
Synonyms: None
SMILES: [C@@H](CC(OC)=O)(C#CC)C1=CC(O)=CC=C1
Tpsa: 46.53
Logp: 2.0622
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₄O₃
Molecular Weight:
218.25
Synonyms:
None
SMILES:
[C@@H](CC(OC)=O)(C#CC)C1=CC(O)=CC=C1
Tpsa:
46.53
Logp:
2.0622
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₃FN₂O₄
Molecular Weight: 290.33
Synonyms: None
SMILES: C(OC)(=O)[C@H]1N(C(OC(C)(C)C)=O)CC[C@](CN)(F)C1
Tpsa: 81.86
Logp: 1.2259
H Acceptors: 5
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:
C₁₃H₂₃FN₂O₄
Molecular Weight:
290.33
Synonyms:
None
SMILES:
C(OC)(=O)[C@H]1N(C(OC(C)(C)C)=O)CC[C@](CN)(F)C1
Tpsa:
81.86
Logp:
1.2259
H Acceptors:
5
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: C₁₃H₂₅N₃O₂
Molecular Weight: 255.36
Synonyms: None
SMILES: N(C(OC(C)(C)C)=O)[C@@H]1C2(CNC1)CCNCC2
Tpsa: 62.39
Logp: 0.8527
H Acceptors: 4
H Donors: 3
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:
C₁₃H₂₅N₃O₂
Molecular Weight:
255.36
Synonyms:
None
SMILES:
N(C(OC(C)(C)C)=O)[C@@H]1C2(CNC1)CCNCC2
Tpsa:
62.39
Logp:
0.8527
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
1