CS-0914172
(S)-2-{4-[(2,4-Diaminopteridin-6-yl)methylamino]benzamido}pentanedioic acid.
Manufacturer: ChemScene
CAS Number: 93232-38-3
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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
C₁₉H₂₀N₈O₅
Molecular Weight
440.41
Synonyms
None
SMILES
NC=1C2=C(N=C(N)N1)N=CC(N(C)C3=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3)=N2
Tpsa
210.54
Logp
0.3999
H Acceptors
10
H Donors
5
Rotatable Bonds
8
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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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₀N₈O₅
Molecular Weight: 440.41
Synonyms: None
SMILES: NC=1C2=C(N=C(N)N1)N=CC(N(C)C3=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3)=N2
Tpsa: 210.54
Logp: 0.3999
H Acceptors: 10
H Donors: 5
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₀N₈O₅
Molecular Weight:
440.41
Synonyms:
None
SMILES:
NC=1C2=C(N=C(N)N1)N=CC(N(C)C3=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3)=N2
Tpsa:
210.54
Logp:
0.3999
H Acceptors:
10
H Donors:
5
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₂₉N₉O₆
Molecular Weight: 587.59
Synonyms: None
SMILES: NC=1C2=C(N=C(N)N1)N=CC(CN(C)C3=CC=C(C(N(C)C4=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C4)=O)C=C3)=N2
Tpsa: 230.85
Logp: 1.545
H Acceptors: 11
H Donors: 5
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₂₉N₉O₆
Molecular Weight:
587.59
Synonyms:
None
SMILES:
NC=1C2=C(N=C(N)N1)N=CC(CN(C)C3=CC=C(C(N(C)C4=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C4)=O)C=C3)=N2
Tpsa:
230.85
Logp:
1.545
H Acceptors:
11
H Donors:
5
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₆N₂NaO₅
Molecular Weight: 303.27
Synonyms: None
SMILES: C(N[C@@H](CCC(O)=O)C(O)=O)(=O)C1=CC=C(NC)C=C1.[Na]
Tpsa: 115.73
Logp: 0.3953
H Acceptors: 4
H Donors: 4
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:
C₁₃H₁₆N₂NaO₅
Molecular Weight:
303.27
Synonyms:
None
SMILES:
C(N[C@@H](CCC(O)=O)C(O)=O)(=O)C1=CC=C(NC)C=C1.[Na]
Tpsa:
115.73
Logp:
0.3953
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
7
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₃₂O₄
Molecular Weight: 384.51
Synonyms: None
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@](C)(C[C@@H]3O)C(=CCOC(C)=O)CC4)[H])(C[C@H](C)C1=CC(=O)C=C2)[H])[H]
Tpsa: 63.6
Logp: 4.0006
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₃₂O₄
Molecular Weight:
384.51
Synonyms:
None
SMILES:
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(C[C@@H]3O)C(=CCOC(C)=O)CC4)[H])(C[C@H](C)C1=CC(=O)C=C2)[H])[H]
Tpsa:
63.6
Logp:
4.0006
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2