CS-1001881
Estrone Impurity 7
Manufacturer: ChemScene
CAS Number: 1643577-75-6
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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
C₃₀H₃₂O₂
Molecular Weight
424.57
Synonyms
None
SMILES
C[C@@]12[C@]([C@]3([C@](CC1)(C=4C(CC3)=CC(O)=CC4)[H])[H])(CC[C@@]2(O)C5=CC=C(C=C5)C6=CC=CC=C6)[H]
Tpsa
40.46
Logp
6.8031
H Acceptors
2
H Donors
2
Rotatable Bonds
2
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: C₃₀H₃₂O₂
Molecular Weight: 424.57
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)(C=4C(CC3)=CC(O)=CC4)[H])[H])(CC[C@@]2(O)C5=CC=C(C=C5)C6=CC=CC=C6)[H]
Tpsa: 40.46
Logp: 6.8031
H Acceptors: 2
H Donors: 2
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:
C₃₀H₃₂O₂
Molecular Weight:
424.57
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@](CC1)(C=4C(CC3)=CC(O)=CC4)[H])[H])(CC[C@@]2(O)C5=CC=C(C=C5)C6=CC=CC=C6)[H]
Tpsa:
40.46
Logp:
6.8031
H Acceptors:
2
H Donors:
2
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: C₁₇H₂₁NO
Molecular Weight: 255.35
Synonyms: None
SMILES: [C@@H](OC1=CC(C)=CC=C1)(CCNC)C2=CC=CC=C2
Tpsa: 21.26
Logp: 3.72462
H Acceptors: 2
H Donors: 1
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:
C₁₇H₂₁NO
Molecular Weight:
255.35
Synonyms:
None
SMILES:
[C@@H](OC1=CC(C)=CC=C1)(CCNC)C2=CC=CC=C2
Tpsa:
21.26
Logp:
3.72462
H Acceptors:
2
H Donors:
1
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: C₂₁H₂₀Cl₂N₄O₄
Molecular Weight: 463.31
Synonyms: None
SMILES: O=C(O)C1=CN=C(N=C1NCC2=CC=C(OC)C(Cl)=C2)NCC3=CC=C(OC)C(Cl)=C3
Tpsa: 105.6
Logp: 4.723
H Acceptors: 7
H Donors: 3
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:
C₂₁H₂₀Cl₂N₄O₄
Molecular Weight:
463.31
Synonyms:
None
SMILES:
O=C(O)C1=CN=C(N=C1NCC2=CC=C(OC)C(Cl)=C2)NCC3=CC=C(OC)C(Cl)=C3
Tpsa:
105.6
Logp:
4.723
H Acceptors:
7
H Donors:
3
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: C₂₂H₂₅N₇O₂
Molecular Weight: 419.48
Synonyms: None
SMILES: C(O)[C@H]1N(C=2N=C(NCC3=CC=CC=C3)C(C(NCC=4N=CC=CN4)=O)=CN2)CCC1
Tpsa: 116.16
Logp: 1.7698
H Acceptors: 8
H Donors: 3
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:
C₂₂H₂₅N₇O₂
Molecular Weight:
419.48
Synonyms:
None
SMILES:
C(O)[C@H]1N(C=2N=C(NCC3=CC=CC=C3)C(C(NCC=4N=CC=CN4)=O)=CN2)CCC1
Tpsa:
116.16
Logp:
1.7698
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
8