CS-1001576
Montelukast (3R)-Hydroxy Benzoate
Manufacturer: ChemScene
CAS Number: 150026-72-5
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₈H₂₄ClNO₃
Molecular Weight
457.95
Synonyms
None
SMILES
C(=C/C1=CC([C@@H](CCC2=C(C(OC)=O)C=CC=C2)O)=CC=C1)\C3=NC4=C(C=C3)C=CC(Cl)=C4
Tpsa
59.42
Logp
6.5114
H Acceptors
4
H Donors
1
Rotatable Bonds
7
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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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₂₄ClNO₃
Molecular Weight: 457.95
Synonyms: None
SMILES: C(=C/C1=CC([C@@H](CCC2=C(C(OC)=O)C=CC=C2)O)=CC=C1)\C3=NC4=C(C=C3)C=CC(Cl)=C4
Tpsa: 59.42
Logp: 6.5114
H Acceptors: 4
H Donors: 1
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:
C₂₈H₂₄ClNO₃
Molecular Weight:
457.95
Synonyms:
None
SMILES:
C(=C/C1=CC([C@@H](CCC2=C(C(OC)=O)C=CC=C2)O)=CC=C1)\C3=NC4=C(C=C3)C=CC(Cl)=C4
Tpsa:
59.42
Logp:
6.5114
H Acceptors:
4
H Donors:
1
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: C₂₈H₂₄ClNO₂
Molecular Weight: 441.95
Synonyms: None
SMILES: C(=C/C1=CC([C@@H](CCC2=C(C(C)=O)C=CC=C2)O)=CC=C1)\C3=NC4=C(C=C3)C=CC(Cl)=C4
Tpsa: 50.19
Logp: 6.9274
H Acceptors: 3
H Donors: 1
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:
C₂₈H₂₄ClNO₂
Molecular Weight:
441.95
Synonyms:
None
SMILES:
C(=C/C1=CC([C@@H](CCC2=C(C(C)=O)C=CC=C2)O)=CC=C1)\C3=NC4=C(C=C3)C=CC(Cl)=C4
Tpsa:
50.19
Logp:
6.9274
H Acceptors:
3
H Donors:
1
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: C₁₀H₁₅NO₂
Molecular Weight: 181.23
Synonyms: None
SMILES: N=1C=C(C(OC)=C(C1COC)C)C
Tpsa: 31.35
Logp: 1.85344
H Acceptors: 3
H Donors: 0
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:
C₁₀H₁₅NO₂
Molecular Weight:
181.23
Synonyms:
None
SMILES:
N=1C=C(C(OC)=C(C1COC)C)C
Tpsa:
31.35
Logp:
1.85344
H Acceptors:
3
H Donors:
0
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: C₁₄H₂₁NO
Molecular Weight: 219.32
Synonyms: None
SMILES: OC1=CC=C(C=C1)C(CN)C2CCCCC2
Tpsa: 46.25
Logp: 3.0148
H Acceptors: 2
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:
C₁₄H₂₁NO
Molecular Weight:
219.32
Synonyms:
None
SMILES:
OC1=CC=C(C=C1)C(CN)C2CCCCC2
Tpsa:
46.25
Logp:
3.0148
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3