CS-0148091
(1R)-Ac-Exatecan
Manufacturer: ChemScene
CAS Number: 3029450-04-9
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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
C₂₆H₂₄FN₃O₅
Molecular Weight
477.48
Synonyms
None
SMILES
O=C1OCC(C(N2C(C3=NC4=CC(F)=C(C5=C4C([C@@H](CC5)NC(C)=O)=C3C2)C)=C6)=O)=C6[C@]1(CC)O
Tpsa
110.52
Logp
2.65052
H Acceptors
7
H Donors
2
Rotatable Bonds
2
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: C₂₆H₂₄FN₃O₅
Molecular Weight: 477.48
Synonyms: None
SMILES: O=C1OCC(C(N2C(C3=NC4=CC(F)=C(C5=C4C([C@@H](CC5)NC(C)=O)=C3C2)C)=C6)=O)=C6[C@]1(CC)O
Tpsa: 110.52
Logp: 2.65052
H Acceptors: 7
H Donors: 2
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:
C₂₆H₂₄FN₃O₅
Molecular Weight:
477.48
Synonyms:
None
SMILES:
O=C1OCC(C(N2C(C3=NC4=CC(F)=C(C5=C4C([C@@H](CC5)NC(C)=O)=C3C2)C)=C6)=O)=C6[C@]1(CC)O
Tpsa:
110.52
Logp:
2.65052
H Acceptors:
7
H Donors:
2
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: C₁₃H₁₃NO₄
Molecular Weight: 247.25
Synonyms: 1,5-dioxo(5'-ethyl-2'H,5'H,6'H-6-oxopyrano)[3',4'-f]-Δ6(8)-tetrahydroindolizine
SMILES: O=C1C(CC)C(C=C23)=C(CO1)C(N3CCC2=O)=O
Tpsa: 65.37
Logp: 0.9851
H Acceptors: 5
H Donors: 0
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:
C₁₃H₁₃NO₄
Molecular Weight:
247.25
Synonyms:
1,5-dioxo(5'-ethyl-2'H,5'H,6'H-6-oxopyrano)[3',4'-f]-Δ6(8)-tetrahydroindolizine
SMILES:
O=C1C(CC)C(C=C23)=C(CO1)C(N3CCC2=O)=O
Tpsa:
65.37
Logp:
0.9851
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₃NO₃
Molecular Weight: 229.32
Synonyms: Carbamic acid, N-[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]-, 1,1-dimethylethyl ester
SMILES: O[C@H]1[C@H](C)CC[C@@H](NC(OC(C)(C)C)=O)C1
Tpsa: 58.56
Logp: 2.0606
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₃NO₃
Molecular Weight:
229.32
Synonyms:
Carbamic acid, N-[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]-, 1,1-dimethylethyl ester
SMILES:
O[C@H]1[C@H](C)CC[C@@H](NC(OC(C)(C)C)=O)C1
Tpsa:
58.56
Logp:
2.0606
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: -20°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₉F₅O₆
Molecular Weight: 402.31
Synonyms: None
SMILES: COCCOCCOCCOCCC(OC1=C(F)C(F)=C(F)C(F)=C1F)=O
Tpsa: 63.22
Logp: 2.3738
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
-20°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₉F₅O₆
Molecular Weight:
402.31
Synonyms:
None
SMILES:
COCCOCCOCCOCCC(OC1=C(F)C(F)=C(F)C(F)=C1F)=O
Tpsa:
63.22
Logp:
2.3738
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
13