CS-1002021
Butylphthalide Impurity 45
Manufacturer: ChemScene
CAS Number: 172687-90-0
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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
C₁₆H₂₂O₂
Molecular Weight
246.34
Synonyms
None
SMILES
O=C1OC(C=2C=CC=CC12)(CCCC)CCCC
Tpsa
26.3
Logp
4.4327
H Acceptors
2
H Donors
0
Rotatable Bonds
6
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₆H₂₂O₂
Molecular Weight: 246.34
Synonyms: None
SMILES: O=C1OC(C=2C=CC=CC12)(CCCC)CCCC
Tpsa: 26.3
Logp: 4.4327
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₂O₂
Molecular Weight:
246.34
Synonyms:
None
SMILES:
O=C1OC(C=2C=CC=CC12)(CCCC)CCCC
Tpsa:
26.3
Logp:
4.4327
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₄O₂
Molecular Weight: 142.20
Synonyms: None
SMILES: C(C(C)C)[C@@H]1CC(=O)OC1
Tpsa: 26.3
Logp: 1.5956
H Acceptors: 2
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:
C₈H₁₄O₂
Molecular Weight:
142.20
Synonyms:
None
SMILES:
C(C(C)C)[C@@H]1CC(=O)OC1
Tpsa:
26.3
Logp:
1.5956
H Acceptors:
2
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: C₂₉H₅₀O₂
Molecular Weight: 430.71
Synonyms: None
SMILES: CC1=C2C([C@H](C)[C@](CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)(C)O2)=C(C)C(O)=C1C
Tpsa: 29.46
Logp: 9.01116
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₅₀O₂
Molecular Weight:
430.71
Synonyms:
None
SMILES:
CC1=C2C([C@H](C)[C@](CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)(C)O2)=C(C)C(O)=C1C
Tpsa:
29.46
Logp:
9.01116
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₆O₃S
Molecular Weight: 228.31
Synonyms: None
SMILES: O=S(=O)(OC(CC)CC)C=1C=CC=CC1
Tpsa: 43.37
Logp: 2.5805
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₆O₃S
Molecular Weight:
228.31
Synonyms:
None
SMILES:
O=S(=O)(OC(CC)CC)C=1C=CC=CC1
Tpsa:
43.37
Logp:
2.5805
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
5