CS-0147693
2-(5-(tert-Butoxycarbonyl)-3-(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl)acetic acid
Manufacturer: ChemScene
CAS Number: 945381-56-6
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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
C₁₅H₂₁NO₆
Molecular Weight
311.33
Synonyms
5-carboxymethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester
SMILES
O=C(C1=C(C)C(C(OCC)=O)=C(CC(O)=O)N1)OC(C)(C)C
Tpsa
105.69
Logp
2.08222
H Acceptors
5
H Donors
2
Rotatable Bonds
5
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: C₁₅H₂₁NO₆
Molecular Weight: 311.33
Synonyms: 5-carboxymethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester
SMILES: O=C(C1=C(C)C(C(OCC)=O)=C(CC(O)=O)N1)OC(C)(C)C
Tpsa: 105.69
Logp: 2.08222
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₁NO₆
Molecular Weight:
311.33
Synonyms:
5-carboxymethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester
SMILES:
O=C(C1=C(C)C(C(OCC)=O)=C(CC(O)=O)N1)OC(C)(C)C
Tpsa:
105.69
Logp:
2.08222
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₃N₃O
Molecular Weight: 249.35
Synonyms: 5-[2-(diethylamino)ethyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILES: O=C1C2=C(NC=C2C)CCN1CCN(CC)CC
Tpsa: 39.34
Logp: 1.66322
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₃N₃O
Molecular Weight:
249.35
Synonyms:
5-[2-(diethylamino)ethyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILES:
O=C1C2=C(NC=C2C)CCN1CCN(CC)CC
Tpsa:
39.34
Logp:
1.66322
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₂₃N₃O₂
Molecular Weight: 277.36
Synonyms: 5-(2-diethylaminoethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde
SMILES: O=CC(N1)=C(C)C2=C1CCN(CCN(CC)CC)C2=O
Tpsa: 56.41
Logp: 1.47572
H Acceptors: 3
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:
C₁₅H₂₃N₃O₂
Molecular Weight:
277.36
Synonyms:
5-(2-diethylaminoethyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde
SMILES:
O=CC(N1)=C(C)C2=C1CCN(CCN(CC)CC)C2=O
Tpsa:
56.41
Logp:
1.47572
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: MFCD30718738
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₁BO₄
Molecular Weight: 240.10
Synonyms: (Z)-(4-Ethoxy-4-oxo-2-buten-2-yl)boronic Acid Pinacol Ester
SMILES: C/C(B(O1)OC(C)(C)C1(C)C)=C\C(OCC)=O
Tpsa: 44.76
Logp: 2.1272
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD30718738
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₁BO₄
Molecular Weight:
240.10
Synonyms:
(Z)-(4-Ethoxy-4-oxo-2-buten-2-yl)boronic Acid Pinacol Ester
SMILES:
C/C(B(O1)OC(C)(C)C1(C)C)=C\C(OCC)=O
Tpsa:
44.76
Logp:
2.1272
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3