CS-0771364
2-[8,14-Bis(carboxymethyl)-8,11,14,20,21-pentazatricyclo[14.3.1.12,6]henicosa-1(19),2,4,6(21),16(20),17-hexaen-11-yl]acetic acid
Manufacturer: ChemScene
CAS Number: 870273-63-5
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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
C₂₂H₂₇N₅O₆
Molecular Weight
457.48
Synonyms
None
SMILES
OC(=O)CN1CCN(CC(O)=O)CC2=CC=CC(=N2)C2=CC=CC(CN(CC(O)=O)CC1)=N2
Tpsa
147.4
Logp
0.317
H Acceptors
8
H Donors
3
Rotatable Bonds
6
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: C₂₂H₂₇N₅O₆
Molecular Weight: 457.48
Synonyms: None
SMILES: OC(=O)CN1CCN(CC(O)=O)CC2=CC=CC(=N2)C2=CC=CC(CN(CC(O)=O)CC1)=N2
Tpsa: 147.4
Logp: 0.317
H Acceptors: 8
H Donors: 3
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:
C₂₂H₂₇N₅O₆
Molecular Weight:
457.48
Synonyms:
None
SMILES:
OC(=O)CN1CCN(CC(O)=O)CC2=CC=CC(=N2)C2=CC=CC(CN(CC(O)=O)CC1)=N2
Tpsa:
147.4
Logp:
0.317
H Acceptors:
8
H Donors:
3
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: C₁₄H₁₀F₃NO₂
Molecular Weight: 281.23
Synonyms: None
SMILES: FC(F)(F)OC1=CC=C(NC(=O)C2=CC=CC=C2)C=C1
Tpsa: 38.33
Logp: 3.8375
H Acceptors: 2
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:
C₁₄H₁₀F₃NO₂
Molecular Weight:
281.23
Synonyms:
None
SMILES:
FC(F)(F)OC1=CC=C(NC(=O)C2=CC=CC=C2)C=C1
Tpsa:
38.33
Logp:
3.8375
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₂O₃S
Molecular Weight: 272.32
Synonyms: None
SMILES: CC(=O)C1=C(SC2=C(C=CC=C2)C(O)=O)C=CC=C1
Tpsa: 54.37
Logp: 3.7386
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₂O₃S
Molecular Weight:
272.32
Synonyms:
None
SMILES:
CC(=O)C1=C(SC2=C(C=CC=C2)C(O)=O)C=CC=C1
Tpsa:
54.37
Logp:
3.7386
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: C₁₂H₉Cl₂NO₂S
Molecular Weight: 302.18
Synonyms: None
SMILES: ClC1=CC=CC(Cl)=C1S(=O)(=O)NC1=CC=CC=C1
Tpsa: 46.17
Logp: 3.7942
H Acceptors: 2
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:
C₁₂H₉Cl₂NO₂S
Molecular Weight:
302.18
Synonyms:
None
SMILES:
ClC1=CC=CC(Cl)=C1S(=O)(=O)NC1=CC=CC=C1
Tpsa:
46.17
Logp:
3.7942
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3