CS-0535213
1-(Tert-butyl) 2-methyl 7-(benzyloxy)-5-((tert-butoxycarbonyl)amino)-4-iodo-1H-indole-1,2-dicarboxylate
Manufacturer: ChemScene
CAS Number: 919535-06-1
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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
C₂₇H₃₁IN₂O₇
Molecular Weight
622.45
Synonyms
1-tert-butyl 2-methyl 7-(benzyloxy)-5-(tert-butoxycarbonylamino)-4-iodo-1H-indole-1,2-dicarboxylate
SMILES
CC(C)(C)OC(=O)NC1=CC(=C2C(=C1I)C=C(N2C(=O)OC(C)(C)C)C(=O)OC)OCC3=CC=CC=C3
Tpsa
105.09
Logp
6.7417
H Acceptors
8
H Donors
1
Rotatable Bonds
5
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: C₂₇H₃₁IN₂O₇
Molecular Weight: 622.45
Synonyms: 1-tert-butyl 2-methyl 7-(benzyloxy)-5-(tert-butoxycarbonylamino)-4-iodo-1H-indole-1,2-dicarboxylate
SMILES: CC(C)(C)OC(=O)NC1=CC(=C2C(=C1I)C=C(N2C(=O)OC(C)(C)C)C(=O)OC)OCC3=CC=CC=C3
Tpsa: 105.09
Logp: 6.7417
H Acceptors: 8
H Donors: 1
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:
C₂₇H₃₁IN₂O₇
Molecular Weight:
622.45
Synonyms:
1-tert-butyl 2-methyl 7-(benzyloxy)-5-(tert-butoxycarbonylamino)-4-iodo-1H-indole-1,2-dicarboxylate
SMILES:
CC(C)(C)OC(=O)NC1=CC(=C2C(=C1I)C=C(N2C(=O)OC(C)(C)C)C(=O)OC)OCC3=CC=CC=C3
Tpsa:
105.09
Logp:
6.7417
H Acceptors:
8
H Donors:
1
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: C₁₆H₁₂OS
Molecular Weight: 252.33
Synonyms: Methanone, benzo[b]thien-3-yl(2-methylphenyl)-
SMILES: CC1=CC=CC=C1C(=O)C2=CSC3=CC=CC=C32
Tpsa: 17.07
Logp: 4.44072
H Acceptors: 2
H Donors: 0
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:
C₁₆H₁₂OS
Molecular Weight:
252.33
Synonyms:
Methanone, benzo[b]thien-3-yl(2-methylphenyl)-
SMILES:
CC1=CC=CC=C1C(=O)C2=CSC3=CC=CC=C32
Tpsa:
17.07
Logp:
4.44072
H Acceptors:
2
H Donors:
0
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: C₁₃H₁₁IN₂O₃
Molecular Weight: 370.14
Synonyms: None
SMILES: C1=CC=C(C=C1)COC2=C(C(=CC(=C2)[N+](=O)[O-])I)N
Tpsa: 78.39
Logp: 3.3606
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₁IN₂O₃
Molecular Weight:
370.14
Synonyms:
None
SMILES:
C1=CC=C(C=C1)COC2=C(C(=CC(=C2)[N+](=O)[O-])I)N
Tpsa:
78.39
Logp:
3.3606
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₄S
Molecular Weight: 238.35
Synonyms: None
SMILES: CC1=CC=CC=C1CC2=CSC3=CC=CC=C32
Tpsa: 0
Logp: 4.80052
H Acceptors: 1
H Donors: 0
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:
C₁₆H₁₄S
Molecular Weight:
238.35
Synonyms:
None
SMILES:
CC1=CC=CC=C1CC2=CSC3=CC=CC=C32
Tpsa:
0
Logp:
4.80052
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
2