CS-1003476
Crisaborole Impurity 85
Manufacturer: ChemScene
CAS Number: 2925547-76-6
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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
C₁₈H₁₉BO₄
Molecular Weight
310.15
Synonyms
None
SMILES
O=C(C1=CC=C(OC2=CC=C3B(O)OCC3=C2)C=C1)CCCC
Tpsa
55.76
Logp
3.0695
H Acceptors
4
H Donors
1
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: C₁₈H₁₉BO₄
Molecular Weight: 310.15
Synonyms: None
SMILES: O=C(C1=CC=C(OC2=CC=C3B(O)OCC3=C2)C=C1)CCCC
Tpsa: 55.76
Logp: 3.0695
H Acceptors: 4
H Donors: 1
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:
C₁₈H₁₉BO₄
Molecular Weight:
310.15
Synonyms:
None
SMILES:
O=C(C1=CC=C(OC2=CC=C3B(O)OCC3=C2)C=C1)CCCC
Tpsa:
55.76
Logp:
3.0695
H Acceptors:
4
H Donors:
1
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: C₅H₇N₃O₂
Molecular Weight: 141.13
Synonyms: None
SMILES: N#CCC(=O)N(C(=O)N)C
Tpsa: 87.19
Logp: -0.56282
H Acceptors: 3
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:
C₅H₇N₃O₂
Molecular Weight:
141.13
Synonyms:
None
SMILES:
N#CCC(=O)N(C(=O)N)C
Tpsa:
87.19
Logp:
-0.56282
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: ≥75%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀BaO₆
Molecular Weight: 363.51
Synonyms: None
SMILES: [Ba].O=C(O)C(=O)CC1(C=CC(O)C=C1)C(=O)O
Tpsa: 111.9
Logp: -0.7927
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 4
Purity:
≥75%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀BaO₆
Molecular Weight:
363.51
Synonyms:
None
SMILES:
[Ba].O=C(O)C(=O)CC1(C=CC(O)C=C1)C(=O)O
Tpsa:
111.9
Logp:
-0.7927
H Acceptors:
4
H Donors:
3
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: C₇H₁₅NO₅
Molecular Weight: 193.20
Synonyms: None
SMILES: C(O)[C@H]1OC(NC)[C@H](O)[C@@H](O)[C@@H]1O
Tpsa: 102.18
Logp: -2.9943
H Acceptors: 6
H Donors: 5
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:
C₇H₁₅NO₅
Molecular Weight:
193.20
Synonyms:
None
SMILES:
C(O)[C@H]1OC(NC)[C@H](O)[C@@H](O)[C@@H]1O
Tpsa:
102.18
Logp:
-2.9943
H Acceptors:
6
H Donors:
5
Rotatable Bonds:
2