CS-0531627
(8R,9S,13S,14S,16R,17R)-3-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-16,17-diol Estriol Impurity
Manufacturer: ChemScene
CAS Number: 1474-53-9
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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
C₁₉H₂₆O₃
Molecular Weight
302.41
Synonyms
3-Methoxyestriol
SMILES
C[C@@]12[C@](C[C@H]([C@@H]2O)O)([H])[C@@]3([H])[C@@](CC1)([H])C4=CC=C(OC)C=C4CC3
Tpsa
49.69
Logp
2.883
H Acceptors
3
H Donors
2
Rotatable Bonds
1
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/health-hazard.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: C₁₉H₂₆O₃
Molecular Weight: 302.41
Synonyms: 3-Methoxyestriol
SMILES: C[C@@]12[C@](C[C@H]([C@@H]2O)O)([H])[C@@]3([H])[C@@](CC1)([H])C4=CC=C(OC)C=C4CC3
Tpsa: 49.69
Logp: 2.883
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:
C₁₉H₂₆O₃
Molecular Weight:
302.41
Synonyms:
3-Methoxyestriol
SMILES:
C[C@@]12[C@](C[C@H]([C@@H]2O)O)([H])[C@@]3([H])[C@@](CC1)([H])C4=CC=C(OC)C=C4CC3
Tpsa:
49.69
Logp:
2.883
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD30530816
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₃IN₂O₂
Molecular Weight: 320.13
Synonyms: None
SMILES: O=C(C1=C(I)C(C)=NN1C2CC2)OCC
Tpsa: 44.12
Logp: 2.30772
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD30530816
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₃IN₂O₂
Molecular Weight:
320.13
Synonyms:
None
SMILES:
O=C(C1=C(I)C(C)=NN1C2CC2)OCC
Tpsa:
44.12
Logp:
2.30772
H Acceptors:
4
H Donors:
0
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: C₈H₈F₃NO₂S
Molecular Weight: 239.21
Synonyms: None
SMILES: O=S(C1=C(C)C=CC=C1N)(C(F)(F)F)=O
Tpsa: 60.16
Logp: 1.87072
H Acceptors: 3
H Donors: 1
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:
C₈H₈F₃NO₂S
Molecular Weight:
239.21
Synonyms:
None
SMILES:
O=S(C1=C(C)C=CC=C1N)(C(F)(F)F)=O
Tpsa:
60.16
Logp:
1.87072
H Acceptors:
3
H Donors:
1
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: C₆H₁₀F₃NO₂
Molecular Weight: 185.14
Synonyms: None
SMILES: O=C(C(C(C(F)(F)F)CC)N)O
Tpsa: 63.32
Logp: 0.9868
H Acceptors: 2
H Donors: 2
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:
C₆H₁₀F₃NO₂
Molecular Weight:
185.14
Synonyms:
None
SMILES:
O=C(C(C(C(F)(F)F)CC)N)O
Tpsa:
63.32
Logp:
0.9868
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3