CS-0011004
(2S,3S)-N-((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)-N,3-dimethyl-2-((S)-3-methyl-2-(methylamino)butanamido)pentanamide
Manufacturer: ChemScene
CAS Number: 474645-30-2
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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
C₄₀H₆₉N₅O₇
Molecular Weight
732.01
Synonyms
None
SMILES
CC[C@H](C)[C@@H]([C@@H](CC(N1[C@@H](CCC1)[C@@H]([C@@H](C)C(N[C@H](C)[C@@H](O)C2=CC=CC=C2)=O)OC)=O)OC)N(C([C@H]([C@H](CC)C)NC([C@H](C(C)C)NC)=O)=O)C
Tpsa
149.54
Logp
3.9199
H Acceptors
8
H Donors
4
Rotatable Bonds
21
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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: C₄₀H₆₉N₅O₇
Molecular Weight: 732.01
Synonyms: None
SMILES: CC[C@H](C)[C@@H]([C@@H](CC(N1[C@@H](CCC1)[C@@H]([C@@H](C)C(N[C@H](C)[C@@H](O)C2=CC=CC=C2)=O)OC)=O)OC)N(C([C@H]([C@H](CC)C)NC([C@H](C(C)C)NC)=O)=O)C
Tpsa: 149.54
Logp: 3.9199
H Acceptors: 8
H Donors: 4
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:
C₄₀H₆₉N₅O₇
Molecular Weight:
732.01
Synonyms:
None
SMILES:
CC[C@H](C)[C@@H]([C@@H](CC(N1[C@@H](CCC1)[C@@H]([C@@H](C)C(N[C@H](C)[C@@H](O)C2=CC=CC=C2)=O)OC)=O)OC)N(C([C@H]([C@H](CC)C)NC([C@H](C(C)C)NC)=O)=O)C
Tpsa:
149.54
Logp:
3.9199
H Acceptors:
8
H Donors:
4
Rotatable Bonds:
21
Purity: 97%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₂N₄O₂
Molecular Weight: 278.36
Synonyms: None
SMILES: O=C(N1CCN(C2=C(N)C=CN=C2)CC1)OC(C)(C)C
Tpsa: 71.69
Logp: 1.7209
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₂N₄O₂
Molecular Weight:
278.36
Synonyms:
None
SMILES:
O=C(N1CCN(C2=C(N)C=CN=C2)CC1)OC(C)(C)C
Tpsa:
71.69
Logp:
1.7209
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD18256891
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₂N₄O₂
Molecular Weight: 278.35
Synonyms: None
SMILES: O=C(N1CCN(C2=CC(N)=CN=C2)CC1)OC(C)(C)C
Tpsa: 71.69
Logp: 1.7209
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD18256891
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₂N₄O₂
Molecular Weight:
278.35
Synonyms:
None
SMILES:
O=C(N1CCN(C2=CC(N)=CN=C2)CC1)OC(C)(C)C
Tpsa:
71.69
Logp:
1.7209
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1
Purity: 96%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₃₇N₇O₃
Molecular Weight: 531.65
Synonyms: Palbociclib-020
SMILES: CC(C1=C(N2C3CCCC3)N=C(NC4=NC=C(N5CCN(C(OC(C)(C)C)=O)CC5)C=C4)N=C1)=C(C=C)C2=O
Tpsa: 105.48
Logp: 5.05372
H Acceptors: 9
H Donors: 1
Rotatable Bonds: 5
Purity:
96%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₃₇N₇O₃
Molecular Weight:
531.65
Synonyms:
Palbociclib-020
SMILES:
CC(C1=C(N2C3CCCC3)N=C(NC4=NC=C(N5CCN(C(OC(C)(C)C)=O)CC5)C=C4)N=C1)=C(C=C)C2=O
Tpsa:
105.48
Logp:
5.05372
H Acceptors:
9
H Donors:
1
Rotatable Bonds:
5