CS-0890768
3-(((Carboxymethyl)(2-((carboxymethyl)((6-hydroxy-3-sulfinatocyclohexa-2,4-dien-1-yl)methyl)amino)ethyl)amino)methyl)-4-hydroxybenzenesulfinate
Manufacturer: ChemScene
CAS Number: 3625-86-3
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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
C₂₀H₂₄N₂O₁₀S₂ ₂-
Molecular Weight
516.54
Synonyms
None
SMILES
OC1C=CC(S([O-])=O)=CC1CN(CCN(CC2=C(O)C=CC(S([O-])=O)=C2)CC(O)=O)CC(O)=O
Tpsa
201.8
Logp
-0.7867
H Acceptors
10
H Donors
4
Rotatable Bonds
13
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: C₂₀H₂₄N₂O₁₀S₂ ₂-
Molecular Weight: 516.54
Synonyms: None
SMILES: OC1C=CC(S([O-])=O)=CC1CN(CCN(CC2=C(O)C=CC(S([O-])=O)=C2)CC(O)=O)CC(O)=O
Tpsa: 201.8
Logp: -0.7867
H Acceptors: 10
H Donors: 4
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₄N₂O₁₀S₂ ₂-
Molecular Weight:
516.54
Synonyms:
None
SMILES:
OC1C=CC(S([O-])=O)=CC1CN(CCN(CC2=C(O)C=CC(S([O-])=O)=C2)CC(O)=O)CC(O)=O
Tpsa:
201.8
Logp:
-0.7867
H Acceptors:
10
H Donors:
4
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₆BrF₂NO
Molecular Weight: 238.03
Synonyms: None
SMILES: CC1=CN=C(OC(F)F)C=C1Br
Tpsa: 22.12
Logp: 2.75392
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₆BrF₂NO
Molecular Weight:
238.03
Synonyms:
None
SMILES:
CC1=CN=C(OC(F)F)C=C1Br
Tpsa:
22.12
Logp:
2.75392
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: C₁₀H₁₁BrN₂O₂
Molecular Weight: 271.11
Synonyms: None
SMILES: COCCOC1=C(Br)C=C2C(N=CN2)=C1
Tpsa: 47.14
Logp: 2.3506
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:
C₁₀H₁₁BrN₂O₂
Molecular Weight:
271.11
Synonyms:
None
SMILES:
COCCOC1=C(Br)C=C2C(N=CN2)=C1
Tpsa:
47.14
Logp:
2.3506
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: C₁₃H₁₈BF₂NO₃
Molecular Weight: 285.09
Synonyms: None
SMILES: CC1(C)C(C)(C)OB(C2=CC(OC(F)F)=NC=C2C)O1
Tpsa: 40.58
Logp: 2.29062
H Acceptors: 4
H Donors: 0
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:
C₁₃H₁₈BF₂NO₃
Molecular Weight:
285.09
Synonyms:
None
SMILES:
CC1(C)C(C)(C)OB(C2=CC(OC(F)F)=NC=C2C)O1
Tpsa:
40.58
Logp:
2.29062
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3