CS-0561873
4-(4-Methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepine-2-carboxylic acid
Manufacturer: ChemScene
CAS Number: 116274-71-6
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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
C₁₇H₁₅NO₃S
Molecular Weight
313.37
Synonyms
None
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C(=O)O
Tpsa
58.89
Logp
3.765
H Acceptors
4
H Donors
1
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 116274-71-6 | 4-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid | A2B Chem | -- |
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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: C₁₇H₁₅NO₃S
Molecular Weight: 313.37
Synonyms: None
SMILES: COC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C(=O)O
Tpsa: 58.89
Logp: 3.765
H Acceptors: 4
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:
C₁₇H₁₅NO₃S
Molecular Weight:
313.37
Synonyms:
None
SMILES:
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C(=O)O
Tpsa:
58.89
Logp:
3.765
H Acceptors:
4
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: C₁₀H₁₇NO₄
Molecular Weight: 215.25
Synonyms: None
SMILES: [C@H](NC(=O)C1CCCO1)([C@H](C)C)C(O)=O
Tpsa: 75.63
Logp: 0.3908
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:
C₁₀H₁₇NO₄
Molecular Weight:
215.25
Synonyms:
None
SMILES:
[C@H](NC(=O)C1CCCO1)([C@H](C)C)C(O)=O
Tpsa:
75.63
Logp:
0.3908
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: C₁₂H₁₅BrN₂O₃
Molecular Weight: 315.16
Synonyms: None
SMILES: CC(=O)NC1=C(C=C(C=C1Br)C(C)(C)C)[N+](=O)[O-]
Tpsa: 72.24
Logp: 3.6132
H Acceptors: 3
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:
C₁₂H₁₅BrN₂O₃
Molecular Weight:
315.16
Synonyms:
None
SMILES:
CC(=O)NC1=C(C=C(C=C1Br)C(C)(C)C)[N+](=O)[O-]
Tpsa:
72.24
Logp:
3.6132
H Acceptors:
3
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: C₁₁H₉ClFN₃O₂
Molecular Weight: 269.66
Synonyms: None
SMILES: C1=CC(=C(C(=C1)Cl)CNC2=NNC(=C2)C(=O)O)F
Tpsa: 78.01
Logp: 2.5125
H Acceptors: 3
H Donors: 3
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:
C₁₁H₉ClFN₃O₂
Molecular Weight:
269.66
Synonyms:
None
SMILES:
C1=CC(=C(C(=C1)Cl)CNC2=NNC(=C2)C(=O)O)F
Tpsa:
78.01
Logp:
2.5125
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
4