CS-0914605
Bortezomib Impurity 57
Manufacturer: ChemScene
CAS Number: 1194235-28-3
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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
C₃₈H₄₈BN₅O₅
Molecular Weight
665.63
Synonyms
None
SMILES
C[C@]12[C@@]3(C(C)(C)[C@@](C3)(C[C@]1(OB([C@@H](NC([C@@H](NC([C@H](CC4=CC=CC=C4)NC(=O)C=5C=NC=CN5)=O)CC6=CC=CC=C6)=O)CC(C)C)O2)[H])[H])[H]
Tpsa
131.54
Logp
4.3436
H Acceptors
7
H Donors
3
Rotatable Bonds
13
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₃₈H₄₈BN₅O₅
Molecular Weight: 665.63
Synonyms: None
SMILES: C[C@]12[C@@]3(C(C)(C)[C@@](C3)(C[C@]1(OB([C@@H](NC([C@@H](NC([C@H](CC4=CC=CC=C4)NC(=O)C=5C=NC=CN5)=O)CC6=CC=CC=C6)=O)CC(C)C)O2)[H])[H])[H]
Tpsa: 131.54
Logp: 4.3436
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₄₈BN₅O₅
Molecular Weight:
665.63
Synonyms:
None
SMILES:
C[C@]12[C@@]3(C(C)(C)[C@@](C3)(C[C@]1(OB([C@@H](NC([C@@H](NC([C@H](CC4=CC=CC=C4)NC(=O)C=5C=NC=CN5)=O)CC6=CC=CC=C6)=O)CC(C)C)O2)[H])[H])[H]
Tpsa:
131.54
Logp:
4.3436
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
13
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₂₆BClO₂
Molecular Weight: 284.63
Synonyms: None
SMILES: C[C@]12[C@@]3(C(C)(C)[C@@](C3)(C[C@]1(OB([C@H](CC(C)C)Cl)O2)[H])[H])[H]
Tpsa: 18.46
Logp: 3.9074
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₆BClO₂
Molecular Weight:
284.63
Synonyms:
None
SMILES:
C[C@]12[C@@]3(C(C)(C)[C@@](C3)(C[C@]1(OB([C@H](CC(C)C)Cl)O2)[H])[H])[H]
Tpsa:
18.46
Logp:
3.9074
H Acceptors:
2
H Donors:
0
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: C₁₁H₁₇BCl₂O₂
Molecular Weight: 262.97
Synonyms: None
SMILES: C[C@]12[C@@]3(C(C)(C)[C@@](C3)(C[C@]1(OB(C(Cl)Cl)O2)[H])[H])[H]
Tpsa: 18.46
Logp: 3.0576
H Acceptors: 2
H Donors: 0
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:
C₁₁H₁₇BCl₂O₂
Molecular Weight:
262.97
Synonyms:
None
SMILES:
C[C@]12[C@@]3(C(C)(C)[C@@](C3)(C[C@]1(OB(C(Cl)Cl)O2)[H])[H])[H]
Tpsa:
18.46
Logp:
3.0576
H Acceptors:
2
H Donors:
0
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: C₂₄H₂₂ClN₅O₄S
Molecular Weight: 511.98
Synonyms: None
SMILES: O=S(=O)(NC=1N=C(N=C(Cl)C1OC=2C=CC=CC2OC)C3=NC=CC=N3)C4=CC=C(C=C4)C(C)C
Tpsa: 116.19
Logp: 5.3121
H Acceptors: 8
H Donors: 1
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:
C₂₄H₂₂ClN₅O₄S
Molecular Weight:
511.98
Synonyms:
None
SMILES:
O=S(=O)(NC=1N=C(N=C(Cl)C1OC=2C=CC=CC2OC)C3=NC=CC=N3)C4=CC=C(C=C4)C(C)C
Tpsa:
116.19
Logp:
5.3121
H Acceptors:
8
H Donors:
1
Rotatable Bonds:
8