CS-1004768
Everolimus Ep Impurity B 19-Z Isomer
Manufacturer: ChemScene
CAS Number: 763911-41-7
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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
C₅₃H₈₃NO₁₄
Molecular Weight
958.22
Synonyms
None
SMILES
C(C(=O)N1[C@H](C(O)=O)CCCC1)(=O)[C@]2(O)O[C@H](C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C([C@@H]([C@@H](/C(=C/[C@H](C(/C=C\[C@@H](C[C@H]3C[C@@H](OC)[C@H](OCCO)CC3)C)=O)C)/C)O)OC)=O)C)C)/C)OC)CC[C@H]2C
Tpsa
215.66
Logp
6.5225
H Acceptors
13
H Donors
4
Rotatable Bonds
27
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: C₅₃H₈₃NO₁₄
Molecular Weight: 958.22
Synonyms: None
SMILES: C(C(=O)N1[C@H](C(O)=O)CCCC1)(=O)[C@]2(O)O[C@H](C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C([C@@H]([C@@H](/C(=C/[C@H](C(/C=C\[C@@H](C[C@H]3C[C@@H](OC)[C@H](OCCO)CC3)C)=O)C)/C)O)OC)=O)C)C)/C)OC)CC[C@H]2C
Tpsa: 215.66
Logp: 6.5225
H Acceptors: 13
H Donors: 4
Rotatable Bonds: 27
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₃H₈₃NO₁₄
Molecular Weight:
958.22
Synonyms:
None
SMILES:
C(C(=O)N1[C@H](C(O)=O)CCCC1)(=O)[C@]2(O)O[C@H](C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C([C@@H]([C@@H](/C(=C/[C@H](C(/C=C\[C@@H](C[C@H]3C[C@@H](OC)[C@H](OCCO)CC3)C)=O)C)/C)O)OC)=O)C)C)/C)OC)CC[C@H]2C
Tpsa:
215.66
Logp:
6.5225
H Acceptors:
13
H Donors:
4
Rotatable Bonds:
27
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₄N₄O₃S
Molecular Weight: 412.51
Synonyms: None
SMILES: C(C(NC1=CC=C(CCNC[C@H](O)C2=CC=CC=C2)C=C1)=O)(O)C3=CSC(N)=N3
Tpsa: 120.5
Logp: 2.2631
H Acceptors: 7
H Donors: 5
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₄N₄O₃S
Molecular Weight:
412.51
Synonyms:
None
SMILES:
C(C(NC1=CC=C(CCNC[C@H](O)C2=CC=CC=C2)C=C1)=O)(O)C3=CSC(N)=N3
Tpsa:
120.5
Logp:
2.2631
H Acceptors:
7
H Donors:
5
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₄N₂O₅
Molecular Weight: 348.39
Synonyms: None
SMILES: C([C@@H](N[C@H](CCC1=CC=CC=C1)C(O)=O)C)(=O)N2[C@H](C(O)=O)CCC2
Tpsa: 106.94
Logp: 1.1261
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₄N₂O₅
Molecular Weight:
348.39
Synonyms:
None
SMILES:
C([C@@H](N[C@H](CCC1=CC=CC=C1)C(O)=O)C)(=O)N2[C@H](C(O)=O)CCC2
Tpsa:
106.94
Logp:
1.1261
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₂₈N₆O₅
Molecular Weight: 372.42
Synonyms: None
SMILES: C([C@@H](CCCNC(NN(=O)=O)=N)N)(=O)N1[C@@H](C(OCC)=O)C[C@H](C)CC1
Tpsa: 163.68
Logp: -0.41023
H Acceptors: 7
H Donors: 4
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₈N₆O₅
Molecular Weight:
372.42
Synonyms:
None
SMILES:
C([C@@H](CCCNC(NN(=O)=O)=N)N)(=O)N1[C@@H](C(OCC)=O)C[C@H](C)CC1
Tpsa:
163.68
Logp:
-0.41023
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
8