CS-0914808
Allopregnanolone Impurity 1
Manufacturer: ChemScene
CAS Number: 2220-64-6
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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
C₂₁H₃₆O₃
Molecular Weight
336.51
Synonyms
None
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@@H](O)CC4)[H])(CC1)[H])[H])(C[C@@H](O)[C@@]2([C@H](C)O)[H])[H]
Tpsa
60.69
Logp
3.3578
H Acceptors
3
H Donors
3
Rotatable Bonds
1
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: C₂₁H₃₆O₃
Molecular Weight: 336.51
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@@H](O)CC4)[H])(CC1)[H])[H])(C[C@@H](O)[C@@]2([C@H](C)O)[H])[H]
Tpsa: 60.69
Logp: 3.3578
H Acceptors: 3
H Donors: 3
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:
C₂₁H₃₆O₃
Molecular Weight:
336.51
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@@H](O)CC4)[H])(CC1)[H])[H])(C[C@@H](O)[C@@]2([C@H](C)O)[H])[H]
Tpsa:
60.69
Logp:
3.3578
H Acceptors:
3
H Donors:
3
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: C₃₀H₄₀NO₇+
Molecular Weight: 526.64
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)[C@@](CC3)(CC(=O)CC4)[H])[H])[H])(CC=C2C5=C[N+](=CC=C5)[C@@H]6O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]6O)[H]
Tpsa: 128.17
Logp: 2.6439
H Acceptors: 6
H Donors: 4
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:
C₃₀H₄₀NO₇+
Molecular Weight:
526.64
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)[C@@](CC3)(CC(=O)CC4)[H])[H])[H])(CC=C2C5=C[N+](=CC=C5)[C@@H]6O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]6O)[H]
Tpsa:
128.17
Logp:
2.6439
H Acceptors:
6
H Donors:
4
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: C₃₀H₃₈NO₇+
Molecular Weight: 524.62
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(CC3)=CC(=O)CC4)[H])[H])(CC=C2C5=C[N+](=CC=C5)[C@@H]6O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]6O)[H]
Tpsa: 128.17
Logp: 2.564
H Acceptors: 6
H Donors: 4
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:
C₃₀H₃₈NO₇+
Molecular Weight:
524.62
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(CC3)=CC(=O)CC4)[H])[H])(CC=C2C5=C[N+](=CC=C5)[C@@H]6O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]6O)[H]
Tpsa:
128.17
Logp:
2.564
H Acceptors:
6
H Donors:
4
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: C₂₆H₃₅NO₂
Molecular Weight: 393.56
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(CC3)(C[C@@H](OC(C)=O)CC4)[H])[H])[H])(CC=C2C=5C=CC=NC5)[H]
Tpsa: 39.19
Logp: 6.0493
H Acceptors: 3
H Donors: 0
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:
C₂₆H₃₅NO₂
Molecular Weight:
393.56
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(CC3)(C[C@@H](OC(C)=O)CC4)[H])[H])[H])(CC=C2C=5C=CC=NC5)[H]
Tpsa:
39.19
Logp:
6.0493
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2