CS-0558392
4-(4-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepine-2-carboxylic acid
Manufacturer: ChemScene
CAS Number: 853902-04-2
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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
C₁₆H₁₂FNO₂S
Molecular Weight
301.34
Synonyms
4-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
SMILES
O=C(C1SC2=CC=CC=C2N=C(C3=CC=C(F)C=C3)C1)O
Tpsa
49.66
Logp
3.8955
H Acceptors
3
H Donors
1
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 853902-04-2 | 4-(4-Fluorophenyl)-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: C₁₆H₁₂FNO₂S
Molecular Weight: 301.34
Synonyms: 4-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
SMILES: O=C(C1SC2=CC=CC=C2N=C(C3=CC=C(F)C=C3)C1)O
Tpsa: 49.66
Logp: 3.8955
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:
C₁₆H₁₂FNO₂S
Molecular Weight:
301.34
Synonyms:
4-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
SMILES:
O=C(C1SC2=CC=CC=C2N=C(C3=CC=C(F)C=C3)C1)O
Tpsa:
49.66
Logp:
3.8955
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: C₂₁H₂₇NOS
Molecular Weight: 341.51
Synonyms: 3,5-Di-tert-butyl-4-hydroxy-N-phenylbenzene-1-carbothioamide
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=S)NC2=CC=CC=C2
Tpsa: 32.26
Logp: 5.7748
H Acceptors: 2
H Donors: 2
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:
C₂₁H₂₇NOS
Molecular Weight:
341.51
Synonyms:
3,5-Di-tert-butyl-4-hydroxy-N-phenylbenzene-1-carbothioamide
SMILES:
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=S)NC2=CC=CC=C2
Tpsa:
32.26
Logp:
5.7748
H Acceptors:
2
H Donors:
2
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: C₁₁H₁₃N₃O
Molecular Weight: 203.24
Synonyms: N-methyl-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzyl]amine
SMILES: CC1=NC(=NO1)C2=CC=CC(=C2)CNC
Tpsa: 50.95
Logp: 1.76442
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:
C₁₁H₁₃N₃O
Molecular Weight:
203.24
Synonyms:
N-methyl-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzyl]amine
SMILES:
CC1=NC(=NO1)C2=CC=CC(=C2)CNC
Tpsa:
50.95
Logp:
1.76442
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: C₁₃H₁₂ClN₃
Molecular Weight: 245.71
Synonyms: BIO-FARMA BF000941
SMILES: NC1=CC(C2=C3C=CC=CC3=CC=C2)=NN1.[H]Cl
Tpsa: 54.7
Logp: 3.2339
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:
C₁₃H₁₂ClN₃
Molecular Weight:
245.71
Synonyms:
BIO-FARMA BF000941
SMILES:
NC1=CC(C2=C3C=CC=CC3=CC=C2)=NN1.[H]Cl
Tpsa:
54.7
Logp:
3.2339
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1