CS-1000263
Alfacalcidol Impurity 23
Manufacturer: ChemScene
CAS Number: 104651-70-9
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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
C₂₇H₄₄O₂
Molecular Weight
400.64
Synonyms
None
SMILES
C[C@@]12[C@](C(/C=C/C3=C(C)[C@@H](O)C[C@H](O)C3)=CCC1)(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H]
Tpsa
40.46
Logp
6.5898
H Acceptors
2
H Donors
2
Rotatable Bonds
7
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: C₂₇H₄₄O₂
Molecular Weight: 400.64
Synonyms: None
SMILES: C[C@@]12[C@](C(/C=C/C3=C(C)[C@@H](O)C[C@H](O)C3)=CCC1)(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H]
Tpsa: 40.46
Logp: 6.5898
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₄₄O₂
Molecular Weight:
400.64
Synonyms:
None
SMILES:
C[C@@]12[C@](C(/C=C/C3=C(C)[C@@H](O)C[C@H](O)C3)=CCC1)(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H]
Tpsa:
40.46
Logp:
6.5898
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
7
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₄H₅₈N₂O₂₂
Molecular Weight: 1087.04
Synonyms: None
SMILES: C(O)[C@@]1(O[C@](O)(CO1)[C@]2(O)CC3=C([C@@H](O[C@H]4C[C@H](N)[C@@H](O)[C@H](C)O4)C2)C(O)=C5C(=C3O)C(=O)C=6C(C5=O)=C(OC)C=CC6)[C@]7(O)CC8=C([C@@H](O[C@H]9C[C@H](N)[C@@H](O)[C@H](C)O9)C7)C(O)=C%10C(=C8O)C(=O)C=%11C(C%10=O)=C(OC)C=CC%11
Tpsa: 396.46
Logp: 0.3174
H Acceptors: 24
H Donors: 12
Rotatable Bonds: 9
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₄H₅₈N₂O₂₂
Molecular Weight:
1087.04
Synonyms:
None
SMILES:
C(O)[C@@]1(O[C@](O)(CO1)[C@]2(O)CC3=C([C@@H](O[C@H]4C[C@H](N)[C@@H](O)[C@H](C)O4)C2)C(O)=C5C(=C3O)C(=O)C=6C(C5=O)=C(OC)C=CC6)[C@]7(O)CC8=C([C@@H](O[C@H]9C[C@H](N)[C@@H](O)[C@H](C)O9)C7)C(O)=C%10C(=C8O)C(=O)C=%11C(C%10=O)=C(OC)C=CC%11
Tpsa:
396.46
Logp:
0.3174
H Acceptors:
24
H Donors:
12
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: C₂₂H₁₆N₄NaO₁₂S₃
Molecular Weight: 647.57
Synonyms: None
SMILES: [Na].O=C(O)C1=NN(C(=O)C1=NNC=2C=CC(=CC2C3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O
Tpsa: 257.47
Logp: 0.9682
H Acceptors: 11
H Donors: 5
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:
C₂₂H₁₆N₄NaO₁₂S₃
Molecular Weight:
647.57
Synonyms:
None
SMILES:
[Na].O=C(O)C1=NN(C(=O)C1=NNC=2C=CC(=CC2C3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O
Tpsa:
257.47
Logp:
0.9682
H Acceptors:
11
H Donors:
5
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: C₁₀H₁₇NO₃
Molecular Weight: 199.25
Synonyms: None
SMILES: O=C(NCC1CCC(C(=O)O)CC1)C
Tpsa: 66.4
Logp: 1.0135
H Acceptors: 2
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:
C₁₀H₁₇NO₃
Molecular Weight:
199.25
Synonyms:
None
SMILES:
O=C(NCC1CCC(C(=O)O)CC1)C
Tpsa:
66.4
Logp:
1.0135
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3