CS-1004746
Methyl (βR,1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-β,7a-dimethyl-1H-indene-1-propanoate
Manufacturer: ChemScene
CAS Number: 75716-76-6
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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
C₂₄H₃₆O₃
Molecular Weight
372.54
Synonyms
None
SMILES
C[C@@]12[C@](\C(=C\C=C\3/C(=C)CC[C@H](O)C3)\CCC1)(CC[C@@]2([C@@H](CC(OC)=O)C)[H])[H]
Tpsa
46.53
Logp
5.3558
H Acceptors
3
H Donors
1
Rotatable Bonds
4
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: C₂₄H₃₆O₃
Molecular Weight: 372.54
Synonyms: None
SMILES: C[C@@]12[C@](\C(=C\C=C\3/C(=C)CC[C@H](O)C3)\CCC1)(CC[C@@]2([C@@H](CC(OC)=O)C)[H])[H]
Tpsa: 46.53
Logp: 5.3558
H Acceptors: 3
H Donors: 1
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:
C₂₄H₃₆O₃
Molecular Weight:
372.54
Synonyms:
None
SMILES:
C[C@@]12[C@](\C(=C\C=C\3/C(=C)CC[C@H](O)C3)\CCC1)(CC[C@@]2([C@@H](CC(OC)=O)C)[H])[H]
Tpsa:
46.53
Logp:
5.3558
H Acceptors:
3
H Donors:
1
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: C₁₁H₁₂N₄O₃S
Molecular Weight: 280.30
Synonyms: None
SMILES: O=S(=O)(NC1=NC(OC)=CN=C1)C2=CC=C(N)C=C2
Tpsa: 107.2
Logp: 0.8682
H Acceptors: 6
H Donors: 2
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:
C₁₁H₁₂N₄O₃S
Molecular Weight:
280.30
Synonyms:
None
SMILES:
O=S(=O)(NC1=NC(OC)=CN=C1)C2=CC=C(N)C=C2
Tpsa:
107.2
Logp:
0.8682
H Acceptors:
6
H Donors:
2
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: C₂₁H₂₇ClO₃
Molecular Weight: 362.89
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3(C([C@]4(C)C(CC3)=CC(=O)CC4)=CC1)[H])(CC[C@@]2(C(CCl)=O)O)[H]
Tpsa: 54.37
Logp: 3.9774
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₇ClO₃
Molecular Weight:
362.89
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3(C([C@]4(C)C(CC3)=CC(=O)CC4)=CC1)[H])(CC[C@@]2(C(CCl)=O)O)[H]
Tpsa:
54.37
Logp:
3.9774
H Acceptors:
3
H Donors:
1
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: C₆H₅NO₃
Molecular Weight: 139.11
Synonyms: None
SMILES: O=C(C=NO)C=1OC=CC1
Tpsa: 62.8
Logp: 0.9223
H Acceptors: 4
H Donors: 1
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:
C₆H₅NO₃
Molecular Weight:
139.11
Synonyms:
None
SMILES:
O=C(C=NO)C=1OC=CC1
Tpsa:
62.8
Logp:
0.9223
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2