CS-0498998
Methyl 7-(dibenzylamino)-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
Manufacturer: ChemScene
CAS Number: 2434715-22-5
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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
C₂₉H₂₄IN₃O₄S
Molecular Weight
637.49
Synonyms
None
SMILES
O=C(C1=CN=C(N(CC2=CC=CC=C2)CC3=CC=CC=C3)C4=C1C=C(I)N4S(=O)(C5=CC=CC=C5)=O)OC
Tpsa
81.5
Logp
5.8713
H Acceptors
7
H Donors
0
Rotatable Bonds
8
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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: C₂₉H₂₄IN₃O₄S
Molecular Weight: 637.49
Synonyms: None
SMILES: O=C(C1=CN=C(N(CC2=CC=CC=C2)CC3=CC=CC=C3)C4=C1C=C(I)N4S(=O)(C5=CC=CC=C5)=O)OC
Tpsa: 81.5
Logp: 5.8713
H Acceptors: 7
H Donors: 0
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:
C₂₉H₂₄IN₃O₄S
Molecular Weight:
637.49
Synonyms:
None
SMILES:
O=C(C1=CN=C(N(CC2=CC=CC=C2)CC3=CC=CC=C3)C4=C1C=C(I)N4S(=O)(C5=CC=CC=C5)=O)OC
Tpsa:
81.5
Logp:
5.8713
H Acceptors:
7
H Donors:
0
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: C₁₃H₁₃ClN₂
Molecular Weight: 232.71
Synonyms: None
SMILES: NC1=NC(C2=C(C)C=CC=C2C)=CC(Cl)=C1
Tpsa: 38.91
Logp: 3.60104
H Acceptors: 2
H Donors: 1
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:
C₁₃H₁₃ClN₂
Molecular Weight:
232.71
Synonyms:
None
SMILES:
NC1=NC(C2=C(C)C=CC=C2C)=CC(Cl)=C1
Tpsa:
38.91
Logp:
3.60104
H Acceptors:
2
H Donors:
1
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: C₇H₁₇NO₂
Molecular Weight: 147.22
Synonyms: None
SMILES: OC[C@H](N)CCC(C)(O)C
Tpsa: 66.48
Logp: -0.1429
H Acceptors: 3
H Donors: 3
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:
C₇H₁₇NO₂
Molecular Weight:
147.22
Synonyms:
None
SMILES:
OC[C@H](N)CCC(C)(O)C
Tpsa:
66.48
Logp:
-0.1429
H Acceptors:
3
H Donors:
3
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: C₅H₁₅BClNO₂
Molecular Weight: 167.44
Synonyms: Bortezomib Impurity 56
SMILES: CC(C)C[C@H](N)B(O)O.Cl
Tpsa: 66.48
Logp: -0.2064
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₁₅BClNO₂
Molecular Weight:
167.44
Synonyms:
Bortezomib Impurity 56
SMILES:
CC(C)C[C@H](N)B(O)O.Cl
Tpsa:
66.48
Logp:
-0.2064
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
3