CS-1001409
Tacrolimus Impurity 12
Manufacturer: ChemScene
CAS Number: 143289-48-9
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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
C₄₃H₆₉NO₁₁
Molecular Weight
776.01
Synonyms
None
SMILES
[C@@H](C[C@H](C/C(=C/[C@H](C(C[C@@H]([C@H]([C@H](OC(=O)[C@H]1N(C=O)CCCC1)/C(=C/[C@H]2C[C@@H](OC)[C@H](O)CC2)/C)C)O)=O)CC=C)/C)C)(OC)[C@@]3([C@@H](OC)C[C@H](C)C(=O)O3)[H]
Tpsa
158.13
Logp
5.5241
H Acceptors
11
H Donors
2
Rotatable Bonds
21
Related Products
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: C₄₃H₆₉NO₁₁
Molecular Weight: 776.01
Synonyms: None
SMILES: [C@@H](C[C@H](C/C(=C/[C@H](C(C[C@@H]([C@H]([C@H](OC(=O)[C@H]1N(C=O)CCCC1)/C(=C/[C@H]2C[C@@H](OC)[C@H](O)CC2)/C)C)O)=O)CC=C)/C)C)(OC)[C@@]3([C@@H](OC)C[C@H](C)C(=O)O3)[H]
Tpsa: 158.13
Logp: 5.5241
H Acceptors: 11
H Donors: 2
Rotatable Bonds: 21
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₃H₆₉NO₁₁
Molecular Weight:
776.01
Synonyms:
None
SMILES:
[C@@H](C[C@H](C/C(=C/[C@H](C(C[C@@H]([C@H]([C@H](OC(=O)[C@H]1N(C=O)CCCC1)/C(=C/[C@H]2C[C@@H](OC)[C@H](O)CC2)/C)C)O)=O)CC=C)/C)C)(OC)[C@@]3([C@@H](OC)C[C@H](C)C(=O)O3)[H]
Tpsa:
158.13
Logp:
5.5241
H Acceptors:
11
H Donors:
2
Rotatable Bonds:
21
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃H₆O₅S
Molecular Weight: 154.14
Synonyms: None
SMILES: O=S1(=O)OCC(O1)CO
Tpsa: 72.83
Logp: -1.3611
H Acceptors: 5
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:
C₃H₆O₅S
Molecular Weight:
154.14
Synonyms:
None
SMILES:
O=S1(=O)OCC(O1)CO
Tpsa:
72.83
Logp:
-1.3611
H Acceptors:
5
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: C₁₀H₁₁N₃O₇S
Molecular Weight: 317.28
Synonyms: None
SMILES: O=C1OC(CN1N=CC=2OC(=CC2)N(=O)=O)CS(=O)(=O)C
Tpsa: 132.32
Logp: 0.3871
H Acceptors: 8
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₁N₃O₇S
Molecular Weight:
317.28
Synonyms:
None
SMILES:
O=C1OC(CN1N=CC=2OC(=CC2)N(=O)=O)CS(=O)(=O)C
Tpsa:
132.32
Logp:
0.3871
H Acceptors:
8
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₃₆F₃N₃O₅
Molecular Weight: 599.64
Synonyms: None
SMILES: C(CCOC(=O)C1=CC=CC=C1)N2C=3C(=CC(C[C@H](NCCOC4=C(OCC(F)(F)F)C=CC=C4)C)=CC3C(N)=O)CC2
Tpsa: 103.12
Logp: 4.9358
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₆F₃N₃O₅
Molecular Weight:
599.64
Synonyms:
None
SMILES:
C(CCOC(=O)C1=CC=CC=C1)N2C=3C(=CC(C[C@H](NCCOC4=C(OCC(F)(F)F)C=CC=C4)C)=CC3C(N)=O)CC2
Tpsa:
103.12
Logp:
4.9358
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
15