CS-0914498
(S)-3-((Z)-2-((1R,3aR,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl)vinyl)-4-methylcyclohex-3-en-1-yl 3,5-dinitrobenzoate
Manufacturer: ChemScene
CAS Number: 105620-21-1
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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
C₃₅H₄₆N₂O₆
Molecular Weight
590.75
Synonyms
None
SMILES
C[C@@]12[C@](C(/C=C\C=3C[C@@H](OC(=O)C4=CC(N(=O)=O)=CC(N(=O)=O)=C4)CCC3C)=CCC1)(CC[C@@]2([C@@H](/C=C/[C@@H](C(C)C)C)C)[H])[H]
Tpsa
112.58
Logp
9.3221
H Acceptors
6
H Donors
0
Rotatable Bonds
10
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@](C(/C=C\C=3C[C@@H](OC(=O)C4=CC(N(=O)=O)=CC(N(=O)=O)=C4)CCC3C)=CCC1)(CC[C@@]2([C@@H](/C=C/[C@@H](C(C)C)C)C)[H])[H]
Tpsa: 112.58
Logp: 9.3221
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 10
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@](C(/C=C\C=3C[C@@H](OC(=O)C4=CC(N(=O)=O)=CC(N(=O)=O)=C4)CCC3C)=CCC1)(CC[C@@]2([C@@H](/C=C/[C@@H](C(C)C)C)C)[H])[H]
Tpsa:
112.58
Logp:
9.3221
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
10
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: O=C(OC1CC(C=CC2=C3CCC(C(C=CC(C)C(C)C)C)C3(C)CCC2)=C(C)CC1)C=4C=C(C=C(C4)N(=O)=O)N(=O)=O
Tpsa: 112.58
Logp: 9.4662
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 10
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:
O=C(OC1CC(C=CC2=C3CCC(C(C=CC(C)C(C)C)C)C3(C)CCC2)=C(C)CC1)C=4C=C(C=C(C4)N(=O)=O)N(=O)=O
Tpsa:
112.58
Logp:
9.4662
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₃ClN₂S
Molecular Weight: 334.91
Synonyms: None
SMILES: Cl.S(C1=CC=CC(=C1)N2CCNCC2)C3=CC=C(C=C3C)C
Tpsa: 15.27
Logp: 4.28604
H Acceptors: 3
H Donors: 1
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:
C₁₈H₂₃ClN₂S
Molecular Weight:
334.91
Synonyms:
None
SMILES:
Cl.S(C1=CC=CC(=C1)N2CCNCC2)C3=CC=C(C=C3C)C
Tpsa:
15.27
Logp:
4.28604
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₂N₂OS
Molecular Weight: 314.45
Synonyms: None
SMILES: O=S(C=1C=CC=CC1N2CCNCC2)C3=CC=C(C=C3C)C
Tpsa: 32.34
Logp: 2.87974
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₂N₂OS
Molecular Weight:
314.45
Synonyms:
None
SMILES:
O=S(C=1C=CC=CC1N2CCNCC2)C3=CC=C(C=C3C)C
Tpsa:
32.34
Logp:
2.87974
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3