CS-0789239
(6a,17b)-Estratriol 3,17-Dipentanoate
Manufacturer: ChemScene
CAS Number: 1350468-75-5
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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
C₂₈H₄₀O₅
Molecular Weight
456.61
Synonyms
None
SMILES
[H][C@]1(CC[C@@]2([C@@H](OC(CCCC)=O)CC3)C)[C@]([H])([C@@]23[H])C[C@H](O)C4=C1C=CC(OC(CCCC)=O)=C4
Tpsa
72.83
Logp
6.2312
H Acceptors
5
H Donors
1
Rotatable Bonds
8
SAFETY INFORMATION
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: C₂₈H₄₀O₅
Molecular Weight: 456.61
Synonyms: None
SMILES: [H][C@]1(CC[C@@]2([C@@H](OC(CCCC)=O)CC3)C)[C@]([H])([C@@]23[H])C[C@H](O)C4=C1C=CC(OC(CCCC)=O)=C4
Tpsa: 72.83
Logp: 6.2312
H Acceptors: 5
H Donors: 1
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:
C₂₈H₄₀O₅
Molecular Weight:
456.61
Synonyms:
None
SMILES:
[H][C@]1(CC[C@@]2([C@@H](OC(CCCC)=O)CC3)C)[C@]([H])([C@@]23[H])C[C@H](O)C4=C1C=CC(OC(CCCC)=O)=C4
Tpsa:
72.83
Logp:
6.2312
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
8
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₆N₂O₃
Molecular Weight: 154.12
Synonyms: None
SMILES: O=C(C)C1=CC=C([N+]([O-])=O)N1
Tpsa: 76
Logp: 1.1255
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₆N₂O₃
Molecular Weight:
154.12
Synonyms:
None
SMILES:
O=C(C)C1=CC=C([N+]([O-])=O)N1
Tpsa:
76
Logp:
1.1255
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈O₄
Molecular Weight: 180.16
Synonyms: None
SMILES: O=C([H])C1=C(OC)C2=C(OCO2)C=C1
Tpsa: 44.76
Logp: 1.2364
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈O₄
Molecular Weight:
180.16
Synonyms:
None
SMILES:
O=C([H])C1=C(OC)C2=C(OCO2)C=C1
Tpsa:
44.76
Logp:
1.2364
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₃N₃O₃
Molecular Weight: 295.29
Synonyms: None
SMILES: O=C1C=CC2=C(N3N=CC(C(O)=O)=C3C4CC4)C=CC=C2N1
Tpsa: 87.98
Logp: 2.2894
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₃N₃O₃
Molecular Weight:
295.29
Synonyms:
None
SMILES:
O=C1C=CC2=C(N3N=CC(C(O)=O)=C3C4CC4)C=CC=C2N1
Tpsa:
87.98
Logp:
2.2894
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3