CS-0129729
(S)-2-((S)-35-Azido-2-benzyl-4,8-dioxo-6,12,15,18,21,24,27,30,33-nonaoxa-3,9-diazapentatriacontanamido)-N-(4-(hydroxymethyl)phenyl)-6-(((4-methoxyphenyl)diphenylmethyl)amino)hexanamide
Manufacturer: ChemScene
CAS Number: 1039044-98-8
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Purity
98%
MDL No
None
Storage
4°C, sealed storage, away from moisture
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₆₄H₈₆N₈O₁₅
Molecular Weight
1207.41
Synonyms
None
SMILES
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(COCC(N[C@@H](CC1=CC=CC=C1)C(N[C@H](C(NC2=CC=C(C=C2)CO)=O)CCCCNC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)=O)=O)=O
Tpsa
289.72
Logp
5.6662
H Acceptors
17
H Donors
6
Rotatable Bonds
49
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: 4°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆₄H₈₆N₈O₁₅
Molecular Weight: 1207.41
Synonyms: None
SMILES: [N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(COCC(N[C@@H](CC1=CC=CC=C1)C(N[C@H](C(NC2=CC=C(C=C2)CO)=O)CCCCNC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)=O)=O)=O
Tpsa: 289.72
Logp: 5.6662
H Acceptors: 17
H Donors: 6
Rotatable Bonds: 49
Purity:
98%
MDL No:
None
Storage:
4°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆₄H₈₆N₈O₁₅
Molecular Weight:
1207.41
Synonyms:
None
SMILES:
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(COCC(N[C@@H](CC1=CC=CC=C1)C(N[C@H](C(NC2=CC=C(C=C2)CO)=O)CCCCNC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)=O)=O)=O
Tpsa:
289.72
Logp:
5.6662
H Acceptors:
17
H Donors:
6
Rotatable Bonds:
49
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₃₂N₂O₃
Molecular Weight: 408.53
Synonyms: None
SMILES: O[C@@H]1[C@H](CCC[C@H]1N2C3=CC=CC=C3CCC4=CC=CC=C42)NC(OC(C)(C)C)=O
Tpsa: 61.8
Logp: 4.73
H Acceptors: 4
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:
C₂₅H₃₂N₂O₃
Molecular Weight:
408.53
Synonyms:
None
SMILES:
O[C@@H]1[C@H](CCC[C@H]1N2C3=CC=CC=C3CCC4=CC=CC=C42)NC(OC(C)(C)C)=O
Tpsa:
61.8
Logp:
4.73
H Acceptors:
4
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: C₂₀H₂₅ClN₂O
Molecular Weight: 344.88
Synonyms: None
SMILES: N[C@@H]1[C@H]([C@@H](CCC1)N2C3=CC=CC=C3CCC4=CC=CC=C42)O.[H]Cl
Tpsa: 49.49
Logp: 3.5858
H Acceptors: 3
H Donors: 2
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:
C₂₀H₂₅ClN₂O
Molecular Weight:
344.88
Synonyms:
None
SMILES:
N[C@@H]1[C@H]([C@@H](CCC1)N2C3=CC=CC=C3CCC4=CC=CC=C42)O.[H]Cl
Tpsa:
49.49
Logp:
3.5858
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1
Purity: 97%
MDL No: MFCD00011958
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₂INOS
Molecular Weight: 285.15
Synonyms: 5-(2-Hydroxyethyl)-3,4-dimethylthiazolium iodide
SMILES: CC1=C(CCO)SC=[N+]1C.[I-]
Tpsa: 24.11
Logp: -2.58018
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
MFCD00011958
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₂INOS
Molecular Weight:
285.15
Synonyms:
5-(2-Hydroxyethyl)-3,4-dimethylthiazolium iodide
SMILES:
CC1=C(CCO)SC=[N+]1C.[I-]
Tpsa:
24.11
Logp:
-2.58018
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2