CS-0547576
2-(3-(Pyrrolidin-1-ylmethyl)-1H-indol-1-yl)acetic acid compound with acetic acid 1:1
Manufacturer: ChemScene
CAS Number: 1185301-36-3
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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
C₁₇H₂₂N₂O₄
Molecular Weight
318.37
Synonyms
(3-Pyrrolidin-1-ylmethyl-indol-1-yl)-acetic acid acetate
SMILES
CC(=O)O.C1CCN(C1)CC2=CN(C3=CC=CC=C32)CC(=O)O
Tpsa
82.77
Logp
2.4126
H Acceptors
4
H Donors
2
Rotatable Bonds
4
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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: C₁₇H₂₂N₂O₄
Molecular Weight: 318.37
Synonyms: (3-Pyrrolidin-1-ylmethyl-indol-1-yl)-acetic acid acetate
SMILES: CC(=O)O.C1CCN(C1)CC2=CN(C3=CC=CC=C32)CC(=O)O
Tpsa: 82.77
Logp: 2.4126
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₂N₂O₄
Molecular Weight:
318.37
Synonyms:
(3-Pyrrolidin-1-ylmethyl-indol-1-yl)-acetic acid acetate
SMILES:
CC(=O)O.C1CCN(C1)CC2=CN(C3=CC=CC=C32)CC(=O)O
Tpsa:
82.77
Logp:
2.4126
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₂N₂OS₂
Molecular Weight: 216.32
Synonyms: None
SMILES: CC(C)SCC1=CC(=O)NC(=S)N1
Tpsa: 48.65
Logp: 2.07409
H Acceptors: 3
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:
C₈H₁₂N₂OS₂
Molecular Weight:
216.32
Synonyms:
None
SMILES:
CC(C)SCC1=CC(=O)NC(=S)N1
Tpsa:
48.65
Logp:
2.07409
H Acceptors:
3
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: C₈H₁₄N₂O
Molecular Weight: 154.21
Synonyms: None
SMILES: NCCNC(C1=CC=CO1)C
Tpsa: 51.19
Logp: 0.8889
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₄N₂O
Molecular Weight:
154.21
Synonyms:
None
SMILES:
NCCNC(C1=CC=CO1)C
Tpsa:
51.19
Logp:
0.8889
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₁Cl₂NO₄
Molecular Weight: 316.14
Synonyms: 2H-Isoindole-2-acetic acid, 5,6-dichloro-1,3-dihydro-α-(1-methylethyl)-1,3-dioxo-, (S)- (9CI)
SMILES: CC(C)[C@@H](C(=O)O)N1C(=O)C2=CC(=C(C=C2C1=O)Cl)Cl
Tpsa: 74.68
Logp: 2.6986
H Acceptors: 3
H Donors: 1
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:
C₁₃H₁₁Cl₂NO₄
Molecular Weight:
316.14
Synonyms:
2H-Isoindole-2-acetic acid, 5,6-dichloro-1,3-dihydro-α-(1-methylethyl)-1,3-dioxo-, (S)- (9CI)
SMILES:
CC(C)[C@@H](C(=O)O)N1C(=O)C2=CC(=C(C=C2C1=O)Cl)Cl
Tpsa:
74.68
Logp:
2.6986
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3