CS-0779598
(S)-4-Chloro-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-7-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1644084-49-0
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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
C₁₁H₉ClN₂O₂S
Molecular Weight
268.72
Synonyms
None
SMILES
O=C([C@@H]1CC2=C(C3=C(Cl)N=CN=C3S2)CC1)O
Tpsa
63.08
Logp
2.5342
H Acceptors
4
H Donors
1
Rotatable Bonds
1
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: C₁₁H₉ClN₂O₂S
Molecular Weight: 268.72
Synonyms: None
SMILES: O=C([C@@H]1CC2=C(C3=C(Cl)N=CN=C3S2)CC1)O
Tpsa: 63.08
Logp: 2.5342
H Acceptors: 4
H Donors: 1
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:
C₁₁H₉ClN₂O₂S
Molecular Weight:
268.72
Synonyms:
None
SMILES:
O=C([C@@H]1CC2=C(C3=C(Cl)N=CN=C3S2)CC1)O
Tpsa:
63.08
Logp:
2.5342
H Acceptors:
4
H Donors:
1
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: C₉H₁₂ClNO₂
Molecular Weight: 201.65
Synonyms: None
SMILES: CC(C)C1=C(C=CC=N1)C(=O)O.Cl
Tpsa: 50.19
Logp: 2.325
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₂ClNO₂
Molecular Weight:
201.65
Synonyms:
None
SMILES:
CC(C)C1=C(C=CC=N1)C(=O)O.Cl
Tpsa:
50.19
Logp:
2.325
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₈N₂O₃
Molecular Weight: 226.27
Synonyms: None
SMILES: CCOC(N1C[C@@]2([H])[C@@](NC(CC2)=O)([H])CC1)=O
Tpsa: 58.64
Logp: 0.7434
H Acceptors: 3
H Donors: 1
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:
C₁₁H₁₈N₂O₃
Molecular Weight:
226.27
Synonyms:
None
SMILES:
CCOC(N1C[C@@]2([H])[C@@](NC(CC2)=O)([H])CC1)=O
Tpsa:
58.64
Logp:
0.7434
H Acceptors:
3
H Donors:
1
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: C₅H₈FNO₂
Molecular Weight: 133.12
Synonyms: None
SMILES: O=C([C@@]1(F)CNCC1)O
Tpsa: 49.33
Logp: -0.2274
H Acceptors: 2
H Donors: 2
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:
C₅H₈FNO₂
Molecular Weight:
133.12
Synonyms:
None
SMILES:
O=C([C@@]1(F)CNCC1)O
Tpsa:
49.33
Logp:
-0.2274
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1