CS-1001759
Tadalafil Impurity 111
Manufacturer: ChemScene
CAS Number: 1598416-03-5
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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
C₃₈H₂₈N₄O₆
Molecular Weight
636.65
Synonyms
None
SMILES
O=C1N2[C@@H](C3=C(C[C@@]2(C(=O)N4[C@@]1(CC5=C([C@H]4C=6C=C7C(=CC6)OCO7)NC=8C5=CC=CC8)[H])[H])C=9C(N3)=CC=CC9)C=%10C=C%11C(=CC%10)OCO%11
Tpsa
109.12
Logp
5.5058
H Acceptors
6
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: C₃₈H₂₈N₄O₆
Molecular Weight: 636.65
Synonyms: None
SMILES: O=C1N2[C@@H](C3=C(C[C@@]2(C(=O)N4[C@@]1(CC5=C([C@H]4C=6C=C7C(=CC6)OCO7)NC=8C5=CC=CC8)[H])[H])C=9C(N3)=CC=CC9)C=%10C=C%11C(=CC%10)OCO%11
Tpsa: 109.12
Logp: 5.5058
H Acceptors: 6
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:
C₃₈H₂₈N₄O₆
Molecular Weight:
636.65
Synonyms:
None
SMILES:
O=C1N2[C@@H](C3=C(C[C@@]2(C(=O)N4[C@@]1(CC5=C([C@H]4C=6C=C7C(=CC6)OCO7)NC=8C5=CC=CC8)[H])[H])C=9C(N3)=CC=CC9)C=%10C=C%11C(=CC%10)OCO%11
Tpsa:
109.12
Logp:
5.5058
H Acceptors:
6
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: C₂₀H₁₉IO₃
Molecular Weight: 434.27
Synonyms: None
SMILES: O=C(C1=CC=C(OC)C(I)=C1)C=2C=3C=CC=CC3OC2CCCC
Tpsa: 39.44
Logp: 5.6196
H Acceptors: 3
H Donors: 0
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:
C₂₀H₁₉IO₃
Molecular Weight:
434.27
Synonyms:
None
SMILES:
O=C(C1=CC=C(OC)C(I)=C1)C=2C=3C=CC=CC3OC2CCCC
Tpsa:
39.44
Logp:
5.6196
H Acceptors:
3
H Donors:
0
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: C₇H₉NO₅S
Molecular Weight: 219.22
Synonyms: None
SMILES: C(C(O)=O)N1[C@H](C(O)=O)CSCC1=O
Tpsa: 94.91
Logp: -0.9004
H Acceptors: 4
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:
C₇H₉NO₅S
Molecular Weight:
219.22
Synonyms:
None
SMILES:
C(C(O)=O)N1[C@H](C(O)=O)CSCC1=O
Tpsa:
94.91
Logp:
-0.9004
H Acceptors:
4
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: C₉H₁₁NO₄
Molecular Weight: 197.19
Synonyms: None
SMILES: [C@H]([C@H](N(=O)=O)C)(O)C1=CC(O)=CC=C1
Tpsa: 83.6
Logp: 1.0908
H Acceptors: 4
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:
C₉H₁₁NO₄
Molecular Weight:
197.19
Synonyms:
None
SMILES:
[C@H]([C@H](N(=O)=O)C)(O)C1=CC(O)=CC=C1
Tpsa:
83.6
Logp:
1.0908
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3