CS-0213766
Allyl (11S,11aS)-8-((5-(((11S,11aS)-10-(((4-((S)-2-((S)-2-(((allyloxy)carbonyl)amino)-3-methylbutanamido)propanamido)benzyl)oxy)carbonyl)-11-hydroxy-7-methoxy-2-methyl-5-oxo-5,10,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl)oxy)pentyl)oxy)-11-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate
Manufacturer: ChemScene
CAS Number: 1595275-60-7
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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
C₅₇H₆₉N₇O₁₆
Molecular Weight
1108.20
Synonyms
None
SMILES
C=CCOC(N[C@@H](C(C)C)C(N[C@@H](C)C(NC(C=C1)=CC=C1COC(N2C3=CC(OCCCCCOC4=C(OC)C=C(C(N5[C@](CC(C)=C5)([H])[C@@H](N6C(OCC=C)=O)O)=O)C6=C4)=C(OC)C=C3C(N7[C@](CC(C)=C7)([H])[C@@H]2O)=O)=O)=O)=O)=O
Tpsa
273.61
Logp
6.8847
H Acceptors
16
H Donors
5
Rotatable Bonds
22
Other Options
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: C₅₇H₆₉N₇O₁₆
Molecular Weight: 1108.20
Synonyms: None
SMILES: C=CCOC(N[C@@H](C(C)C)C(N[C@@H](C)C(NC(C=C1)=CC=C1COC(N2C3=CC(OCCCCCOC4=C(OC)C=C(C(N5[C@](CC(C)=C5)([H])[C@@H](N6C(OCC=C)=O)O)=O)C6=C4)=C(OC)C=C3C(N7[C@](CC(C)=C7)([H])[C@@H]2O)=O)=O)=O)=O)=O
Tpsa: 273.61
Logp: 6.8847
H Acceptors: 16
H Donors: 5
Rotatable Bonds: 22
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₇H₆₉N₇O₁₆
Molecular Weight:
1108.20
Synonyms:
None
SMILES:
C=CCOC(N[C@@H](C(C)C)C(N[C@@H](C)C(NC(C=C1)=CC=C1COC(N2C3=CC(OCCCCCOC4=C(OC)C=C(C(N5[C@](CC(C)=C5)([H])[C@@H](N6C(OCC=C)=O)O)=O)C6=C4)=C(OC)C=C3C(N7[C@](CC(C)=C7)([H])[C@@H]2O)=O)=O)=O)=O)=O
Tpsa:
273.61
Logp:
6.8847
H Acceptors:
16
H Donors:
5
Rotatable Bonds:
22
Purity: 95%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₁₂NO₅P
Molecular Weight: 197.13
Synonyms: None
SMILES: O=C(OC)C(N)P(OC)(OC)=O
Tpsa: 87.85
Logp: -0.0699
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₁₂NO₅P
Molecular Weight:
197.13
Synonyms:
None
SMILES:
O=C(OC)C(N)P(OC)(OC)=O
Tpsa:
87.85
Logp:
-0.0699
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD00012614
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₆ClN₃O₂
Molecular Weight: 305.76
Synonyms: None
SMILES: O=C(C1=C(/N=N/C2=CC=C(N(C)C)C=C2)C=CC=C1)O.Cl
Tpsa: 65.26
Logp: 4.288
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD00012614
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₆ClN₃O₂
Molecular Weight:
305.76
Synonyms:
None
SMILES:
O=C(C1=C(/N=N/C2=CC=C(N(C)C)C=C2)C=CC=C1)O.Cl
Tpsa:
65.26
Logp:
4.288
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₃BrN₂O₂
Molecular Weight: 190.98
Synonyms: None
SMILES: O=C(C1=CC(Br)=NN1)O
Tpsa: 65.98
Logp: 0.8704
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₃BrN₂O₂
Molecular Weight:
190.98
Synonyms:
None
SMILES:
O=C(C1=CC(Br)=NN1)O
Tpsa:
65.98
Logp:
0.8704
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1