CS-0372214
5-Fluoro-2,2-dimethyl-8-(-2-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)vinyl)-4H-benzo[d][1,3]dioxin-4-one
Manufacturer: ChemScene
CAS Number: 2170834-93-0
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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
C₂₂H₂₆BFO₅
Molecular Weight
400.25
Synonyms
None
SMILES
C[C@]12[C@@H]3C(C)([C@H](C[C@@]1([H])OB(O2)/C=C/C4=C5C(C(OC(C)(O5)C)=O)=C(C=C4)F)C3)C
Tpsa
53.99
Logp
4.3917
H Acceptors
5
H Donors
0
Rotatable Bonds
2
Related Products
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: C₂₂H₂₆BFO₅
Molecular Weight: 400.25
Synonyms: None
SMILES: C[C@]12[C@@H]3C(C)([C@H](C[C@@]1([H])OB(O2)/C=C/C4=C5C(C(OC(C)(O5)C)=O)=C(C=C4)F)C3)C
Tpsa: 53.99
Logp: 4.3917
H Acceptors: 5
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:
C₂₂H₂₆BFO₅
Molecular Weight:
400.25
Synonyms:
None
SMILES:
C[C@]12[C@@H]3C(C)([C@H](C[C@@]1([H])OB(O2)/C=C/C4=C5C(C(OC(C)(O5)C)=O)=C(C=C4)F)C3)C
Tpsa:
53.99
Logp:
4.3917
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: -20°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₈BFNa₂O₅
Molecular Weight: 283.96
Synonyms: (1R,2S)-QPX7728 (disodium)
SMILES: O[B-](O1)(O)[C@H]2C[C@H]2C3=C1C(C(O[Na])=O)=C(C=C3)F.[Na+]
Tpsa: 75.99
Logp: -2.7566
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
-20°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₈BFNa₂O₅
Molecular Weight:
283.96
Synonyms:
(1R,2S)-QPX7728 (disodium)
SMILES:
O[B-](O1)(O)[C@H]2C[C@H]2C3=C1C(C(O[Na])=O)=C(C=C3)F.[Na+]
Tpsa:
75.99
Logp:
-2.7566
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD18909498
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₃BrINO₂
Molecular Weight: 398.03
Synonyms: tert-Butyl N-(4-Bromo-3-iodophenyl)carbamate
SMILES: O=C(OC(C)(C)C)NC1=CC=C(Br)C(I)=C1
Tpsa: 38.33
Logp: 4.4007
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD18909498
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₃BrINO₂
Molecular Weight:
398.03
Synonyms:
tert-Butyl N-(4-Bromo-3-iodophenyl)carbamate
SMILES:
O=C(OC(C)(C)C)NC1=CC=C(Br)C(I)=C1
Tpsa:
38.33
Logp:
4.4007
H Acceptors:
2
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: C₁₁H₁₃Br₂NO₂
Molecular Weight: 351.03
Synonyms: Carbamic acid, (2,6-dibromophenyl)-, 1,1-dimethylethyl ester (9CI)
SMILES: O=C(OC(C)(C)C)NC1=C(Br)C=CC=C1Br
Tpsa: 38.33
Logp: 4.5586
H Acceptors: 2
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:
C₁₁H₁₃Br₂NO₂
Molecular Weight:
351.03
Synonyms:
Carbamic acid, (2,6-dibromophenyl)-, 1,1-dimethylethyl ester (9CI)
SMILES:
O=C(OC(C)(C)C)NC1=C(Br)C=CC=C1Br
Tpsa:
38.33
Logp:
4.5586
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1