CS-1000680
Delamanid Impurity 2
Manufacturer: ChemScene
CAS Number: 1202875-92-0
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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
C₂₃H₂₆F₃N₃O₄
Molecular Weight
465.47
Synonyms
None
SMILES
O(C[C@@]1(C)CN=C(N)O1)C2=CC=C(C=C2)N3CCC(OC4=CC=C(OC(F)(F)F)C=C4)CC3
Tpsa
78.54
Logp
4.1154
H Acceptors
7
H Donors
1
Rotatable Bonds
7
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1202875-92-0 | Delamanid metabolite M1 or (5R)-4,5-Dihydro-5-methyl-5-[[4-[4-[4-(trifluoromethoxy)phenoxy]-1-piperidinyl]phenoxy]methyl]-2-oxazolamine | A2B Chem | -- |
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: C₂₃H₂₆F₃N₃O₄
Molecular Weight: 465.47
Synonyms: None
SMILES: O(C[C@@]1(C)CN=C(N)O1)C2=CC=C(C=C2)N3CCC(OC4=CC=C(OC(F)(F)F)C=C4)CC3
Tpsa: 78.54
Logp: 4.1154
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₂₆F₃N₃O₄
Molecular Weight:
465.47
Synonyms:
None
SMILES:
O(C[C@@]1(C)CN=C(N)O1)C2=CC=C(C=C2)N3CCC(OC4=CC=C(OC(F)(F)F)C=C4)CC3
Tpsa:
78.54
Logp:
4.1154
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₀H₃₆O₅
Molecular Weight: 476.60
Synonyms: None
SMILES: C(CC(CCCCCCC)=O)[C@@H]1[C@@]2([C@](C[C@H]1OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)(OC(=O)C2)[H])[H]
Tpsa: 69.67
Logp: 6.5404
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₃₆O₅
Molecular Weight:
476.60
Synonyms:
None
SMILES:
C(CC(CCCCCCC)=O)[C@@H]1[C@@]2([C@](C[C@H]1OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)(OC(=O)C2)[H])[H]
Tpsa:
69.67
Logp:
6.5404
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₇FO₄
Molecular Weight: 362.44
Synonyms: None
SMILES: F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@H](C(O)=O)[C@@H](C)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]
Tpsa: 74.6
Logp: 3.304
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:
C₂₁H₂₇FO₄
Molecular Weight:
362.44
Synonyms:
None
SMILES:
F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@H](C(O)=O)[C@@H](C)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]
Tpsa:
74.6
Logp:
3.304
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: C₉H₉NO₂
Molecular Weight: 163.17
Synonyms: None
SMILES: O=C1OC2=CC(N)=CC=C2CC1
Tpsa: 52.32
Logp: 1.1204
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₉NO₂
Molecular Weight:
163.17
Synonyms:
None
SMILES:
O=C1OC2=CC(N)=CC=C2CC1
Tpsa:
52.32
Logp:
1.1204
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0