CS-0783042
2-(((tert-Butoxycarbonyl)amino)methyl)-4-chlorobenzoic acid
Manufacturer: ChemScene
CAS Number: 669713-63-7
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Purity
98%
MDL No
None
Storage
Store at room temperature
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₁₆ClNO₄
Molecular Weight
285.72
Synonyms
None
SMILES
O=C(O)C1=CC=C(Cl)C=C1CNC(OC(C)(C)C)=O
Tpsa
75.63
Logp
3.0629
H Acceptors
3
H Donors
2
Rotatable Bonds
3
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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
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Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₆ClNO₄
Molecular Weight: 285.72
Synonyms: None
SMILES: O=C(O)C1=CC=C(Cl)C=C1CNC(OC(C)(C)C)=O
Tpsa: 75.63
Logp: 3.0629
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₆ClNO₄
Molecular Weight:
285.72
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(Cl)C=C1CNC(OC(C)(C)C)=O
Tpsa:
75.63
Logp:
3.0629
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: C₈H₇ClINO₃
Molecular Weight: 327.50
Synonyms: None
SMILES: O=C(C(C(I)=C1)=C(Cl)N(C)C1=O)OC
Tpsa: 48.3
Logp: 1.4299
H Acceptors: 4
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:
C₈H₇ClINO₃
Molecular Weight:
327.50
Synonyms:
None
SMILES:
O=C(C(C(I)=C1)=C(Cl)N(C)C1=O)OC
Tpsa:
48.3
Logp:
1.4299
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₇H₄₂D₆N₆O₅S₂
Molecular Weight: 726.98
Synonyms: rel-ABT 538-d<sub>6</sub>; rel-RTV-d<sub>6</sub>
SMILES: O=C(OCC1=CN=CS1)N[C@@H](CC2=CC=CC=C2)[C@@H](O)C[C@@H](NC([C@H](C(C)C)NC(N(C)CC3=CSC(C(C([2H])([2H])[2H])C([2H])([2H])[2H])=N3)=O)=O)CC4=CC=CC=C4
Tpsa: 145.78
Logp: 5.9052
H Acceptors: 9
H Donors: 4
Rotatable Bonds: 19
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₄₂D₆N₆O₅S₂
Molecular Weight:
726.98
Synonyms:
rel-ABT 538-d<sub>6</sub>; rel-RTV-d<sub>6</sub>
SMILES:
O=C(OCC1=CN=CS1)N[C@@H](CC2=CC=CC=C2)[C@@H](O)C[C@@H](NC([C@H](C(C)C)NC(N(C)CC3=CSC(C(C([2H])([2H])[2H])C([2H])([2H])[2H])=N3)=O)=O)CC4=CC=CC=C4
Tpsa:
145.78
Logp:
5.9052
H Acceptors:
9
H Donors:
4
Rotatable Bonds:
19
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₀O₃
Molecular Weight: 202.21
Synonyms: None
SMILES: O=C(/C=C/C1=C(OCC#C)C=CC=C1)O
Tpsa: 46.53
Logp: 1.7964
H Acceptors: 2
H Donors: 1
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:
C₁₂H₁₀O₃
Molecular Weight:
202.21
Synonyms:
None
SMILES:
O=C(/C=C/C1=C(OCC#C)C=CC=C1)O
Tpsa:
46.53
Logp:
1.7964
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
4