CS-1004340
9β,10α-Ergosta-5,7,22-Trien-3β-Ol, 3,5-Dinitrobenzoate
Manufacturer: ChemScene
CAS Number: 6113-02-6
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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
C₃₅H₄₆N₂O₆
Molecular Weight
590.75
Synonyms
None
SMILES
C[C@]12[C@]3(C([C@]4([C@](C)(CC3)[C@@]([C@@H](/C=C/[C@@H](C(C)C)C)C)(CC4)[H])[H])=CC=C1C[C@@H](OC(=O)C5=CC(N(=O)=O)=CC(N(=O)=O)=C5)CC2)[H]
Tpsa
112.58
Logp
9.0119
H Acceptors
6
H Donors
0
Rotatable Bonds
8
Related Products
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: C₃₅H₄₆N₂O₆
Molecular Weight: 590.75
Synonyms: None
SMILES: C[C@]12[C@]3(C([C@]4([C@](C)(CC3)[C@@]([C@@H](/C=C/[C@@H](C(C)C)C)C)(CC4)[H])[H])=CC=C1C[C@@H](OC(=O)C5=CC(N(=O)=O)=CC(N(=O)=O)=C5)CC2)[H]
Tpsa: 112.58
Logp: 9.0119
H Acceptors: 6
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:
C₃₅H₄₆N₂O₆
Molecular Weight:
590.75
Synonyms:
None
SMILES:
C[C@]12[C@]3(C([C@]4([C@](C)(CC3)[C@@]([C@@H](/C=C/[C@@H](C(C)C)C)C)(CC4)[H])[H])=CC=C1C[C@@H](OC(=O)C5=CC(N(=O)=O)=CC(N(=O)=O)=C5)CC2)[H]
Tpsa:
112.58
Logp:
9.0119
H Acceptors:
6
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: C₁₂H₁₀O₆
Molecular Weight: 250.20
Synonyms: None
SMILES: OC=1C=C(O)C(OC=2C=C(O)C=C(O)C2)=C(O)C1
Tpsa: 110.38
Logp: 2.0069
H Acceptors: 6
H Donors: 5
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:
C₁₂H₁₀O₆
Molecular Weight:
250.20
Synonyms:
None
SMILES:
OC=1C=C(O)C(OC=2C=C(O)C=C(O)C2)=C(O)C1
Tpsa:
110.38
Logp:
2.0069
H Acceptors:
6
H Donors:
5
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: C₁₈H₁₈N₂O₄S₂
Molecular Weight: 390.48
Synonyms: None
SMILES: O=S(=O)(C=1N=CN(C1)CS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C
Tpsa: 86.1
Logp: 2.76414
H Acceptors: 6
H Donors: 0
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:
C₁₈H₁₈N₂O₄S₂
Molecular Weight:
390.48
Synonyms:
None
SMILES:
O=S(=O)(C=1N=CN(C1)CS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C
Tpsa:
86.1
Logp:
2.76414
H Acceptors:
6
H Donors:
0
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: C₁₀H₂₀N₂
Molecular Weight: 168.28
Synonyms: None
SMILES: N1(N2CCCCC2)CCCCC1
Tpsa: 6.48
Logp: 1.8732
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:
C₁₀H₂₀N₂
Molecular Weight:
168.28
Synonyms:
None
SMILES:
N1(N2CCCCC2)CCCCC1
Tpsa:
6.48
Logp:
1.8732
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1