CS-1001357
(3aR,4S,7R,7aS)-Hexahydro-2-[[(1R,2R)-2-[[(methylsulfonyl)oxy]methyl]cyclohexyl]methyl]-4,7-methano-1H-isoindole-1,3(2H)-dione
Manufacturer: ChemScene
CAS Number: 1421374-94-8
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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
C₁₈H₂₇NO₅S
Molecular Weight
369.48
Synonyms
None
SMILES
O=C1[C@@]2([C@@]([C@@]3(C[C@]2(CC3)[H])[H])(C(=O)N1C[C@H]4[C@H](COS(C)(=O)=O)CCCC4)[H])[H]
Tpsa
80.75
Logp
1.8001
H Acceptors
5
H Donors
0
Rotatable Bonds
5
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: C₁₈H₂₇NO₅S
Molecular Weight: 369.48
Synonyms: None
SMILES: O=C1[C@@]2([C@@]([C@@]3(C[C@]2(CC3)[H])[H])(C(=O)N1C[C@H]4[C@H](COS(C)(=O)=O)CCCC4)[H])[H]
Tpsa: 80.75
Logp: 1.8001
H Acceptors: 5
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:
C₁₈H₂₇NO₅S
Molecular Weight:
369.48
Synonyms:
None
SMILES:
O=C1[C@@]2([C@@]([C@@]3(C[C@]2(CC3)[H])[H])(C(=O)N1C[C@H]4[C@H](COS(C)(=O)=O)CCCC4)[H])[H]
Tpsa:
80.75
Logp:
1.8001
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
5
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₃₆O₆
Molecular Weight: 468.58
Synonyms: None
SMILES: O(C(/C=C(\OC(C)=O)/C)=O)[C@]1(C#C)[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@@]4(C(CC3)=C[C@@H](OC(C)=O)CC4)[H])[H])[H])[H]
Tpsa: 78.9
Logp: 4.8729
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 4
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₃₆O₆
Molecular Weight:
468.58
Synonyms:
None
SMILES:
O(C(/C=C(\OC(C)=O)/C)=O)[C@]1(C#C)[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@@]4(C(CC3)=C[C@@H](OC(C)=O)CC4)[H])[H])[H])[H]
Tpsa:
78.9
Logp:
4.8729
H Acceptors:
6
H Donors:
0
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: C₁₈H₂₇NO₃
Molecular Weight: 305.41
Synonyms: None
SMILES: O=C(OCCOCCNCC)C1(C=2C=CC=CC2)CCCC1
Tpsa: 47.56
Logp: 2.6677
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₇NO₃
Molecular Weight:
305.41
Synonyms:
None
SMILES:
O=C(OCCOCCNCC)C1(C=2C=CC=CC2)CCCC1
Tpsa:
47.56
Logp:
2.6677
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₂₄FNO₄
Molecular Weight: 421.46
Synonyms: None
SMILES: [C@@H](C[C@H](CC(O)=O)O)(O)[C@@]1(CC2=C(C=3C1=CC(F)=CC3)C=4C(N=C2C5CC5)=CC=CC4)[H]
Tpsa: 90.65
Logp: 4.1446
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₄FNO₄
Molecular Weight:
421.46
Synonyms:
None
SMILES:
[C@@H](C[C@H](CC(O)=O)O)(O)[C@@]1(CC2=C(C=3C1=CC(F)=CC3)C=4C(N=C2C5CC5)=CC=CC4)[H]
Tpsa:
90.65
Logp:
4.1446
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
6