CS-0562671
2-(3-(Ethoxycarbonyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-1-yl)acetic acid
Manufacturer: ChemScene
CAS Number: 93616-97-8
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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
C₁₇H₁₉NO₅
Molecular Weight
317.34
Synonyms
[3-(Ethoxycarbonyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid
SMILES
CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)OC)CC(=O)O)C
Tpsa
77.76
Logp
2.73342
H Acceptors
5
H Donors
1
Rotatable Bonds
6
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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: C₁₇H₁₉NO₅
Molecular Weight: 317.34
Synonyms: [3-(Ethoxycarbonyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid
SMILES: CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)OC)CC(=O)O)C
Tpsa: 77.76
Logp: 2.73342
H Acceptors: 5
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:
C₁₇H₁₉NO₅
Molecular Weight:
317.34
Synonyms:
[3-(Ethoxycarbonyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid
SMILES:
CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)OC)CC(=O)O)C
Tpsa:
77.76
Logp:
2.73342
H Acceptors:
5
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: C₁₀H₁₇NO₂
Molecular Weight: 183.25
Synonyms: None
SMILES: C1CCOC(C1)C(=O)N2CCCC2
Tpsa: 29.54
Logp: 1.1779
H Acceptors: 2
H Donors: 0
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:
C₁₀H₁₇NO₂
Molecular Weight:
183.25
Synonyms:
None
SMILES:
C1CCOC(C1)C(=O)N2CCCC2
Tpsa:
29.54
Logp:
1.1779
H Acceptors:
2
H Donors:
0
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: C₁₃H₁₂N₂O
Molecular Weight: 212.25
Synonyms: None
SMILES: CNC(=O)C1=CN=C(C=C1)C2=CC=CC=C2
Tpsa: 41.99
Logp: 2.1082
H Acceptors: 2
H Donors: 1
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:
C₁₃H₁₂N₂O
Molecular Weight:
212.25
Synonyms:
None
SMILES:
CNC(=O)C1=CN=C(C=C1)C2=CC=CC=C2
Tpsa:
41.99
Logp:
2.1082
H Acceptors:
2
H Donors:
1
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: C₁₀H₁₁BrO
Molecular Weight: 227.10
Synonyms: 7-Bromo-2,3,4,5-tetrahydro-1-benzoxepine
SMILES: C1CCOC2=C(C1)C=C(C=C2)Br
Tpsa: 9.23
Logp: 3.1642
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₁BrO
Molecular Weight:
227.10
Synonyms:
7-Bromo-2,3,4,5-tetrahydro-1-benzoxepine
SMILES:
C1CCOC2=C(C1)C=C(C=C2)Br
Tpsa:
9.23
Logp:
3.1642
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0