CS-0914166
(S)-2,2'-((1-(4-(carboxymethyl)-2-oxopiperazin-1-yl)-3-(4-ethoxyphenyl)propan-2-yl)azanediyl)diacetic acid dihydrochloride
Manufacturer: ChemScene
CAS Number: 2172857-50-8
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₁H₂₉N₃O₈
Molecular Weight
451.47
Synonyms
None
SMILES
[C@@H](N(CC(O)=O)CC(O)=O)(CN1C(=O)CN(CC(O)=O)CC1)CC2=CC=C(OCC)C=C2
Tpsa
147.92
Logp
-0.3036
H Acceptors
7
H Donors
3
Rotatable Bonds
13
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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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₉N₃O₈
Molecular Weight: 451.47
Synonyms: None
SMILES: [C@@H](N(CC(O)=O)CC(O)=O)(CN1C(=O)CN(CC(O)=O)CC1)CC2=CC=C(OCC)C=C2
Tpsa: 147.92
Logp: -0.3036
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 13
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₉N₃O₈
Molecular Weight:
451.47
Synonyms:
None
SMILES:
[C@@H](N(CC(O)=O)CC(O)=O)(CN1C(=O)CN(CC(O)=O)CC1)CC2=CC=C(OCC)C=C2
Tpsa:
147.92
Logp:
-0.3036
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₃₃N₃O₁₁
Molecular Weight: 527.52
Synonyms: None
SMILES: [C@@H](N(CC(O)=O)CC(O)=O)(CC1=CC=C(OCC)C=C1)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
Tpsa: 205.45
Logp: -0.6746
H Acceptors: 9
H Donors: 5
Rotatable Bonds: 20
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₃N₃O₁₁
Molecular Weight:
527.52
Synonyms:
None
SMILES:
[C@@H](N(CC(O)=O)CC(O)=O)(CC1=CC=C(OCC)C=C1)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
Tpsa:
205.45
Logp:
-0.6746
H Acceptors:
9
H Donors:
5
Rotatable Bonds:
20
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₇N₅O₆
Molecular Weight: 339.30
Synonyms: None
SMILES: O=C1N=C(N)NC2=C1N=CN2COC(COC(=O)C)COC(=O)C
Tpsa: 151.42
Logp: -0.8293
H Acceptors: 10
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:
C₁₃H₁₇N₅O₆
Molecular Weight:
339.30
Synonyms:
None
SMILES:
O=C1N=C(N)NC2=C1N=CN2COC(COC(=O)C)COC(=O)C
Tpsa:
151.42
Logp:
-0.8293
H Acceptors:
10
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: C₈H₁₃ClO₅
Molecular Weight: 224.64
Synonyms: None
SMILES: O=C(OCOC(CCl)COC(=O)C)C
Tpsa: 61.83
Logp: 0.6941
H Acceptors: 5
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:
C₈H₁₃ClO₅
Molecular Weight:
224.64
Synonyms:
None
SMILES:
O=C(OCOC(CCl)COC(=O)C)C
Tpsa:
61.83
Logp:
0.6941
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
6