CS-1001803
2-Chloro-N-methyl-7-[(4-methylphenyl)sulfonyl]-N-[(3R,4R)-4-methyl-3-piperidinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Manufacturer: ChemScene
CAS Number: 1616760-95-2
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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
C₂₀H₂₄ClN₅O₂S
Molecular Weight
433.95
Synonyms
None
SMILES
N(C)(C1=C2C(N(S(=O)(=O)C3=CC=C(C)C=C3)C=C2)=NC(Cl)=N1)[C@@H]4[C@H](C)CCNC4
Tpsa
80.12
Logp
3.06432
H Acceptors
7
H Donors
1
Rotatable Bonds
4
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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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₄ClN₅O₂S
Molecular Weight: 433.95
Synonyms: None
SMILES: N(C)(C1=C2C(N(S(=O)(=O)C3=CC=C(C)C=C3)C=C2)=NC(Cl)=N1)[C@@H]4[C@H](C)CCNC4
Tpsa: 80.12
Logp: 3.06432
H Acceptors: 7
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:
C₂₀H₂₄ClN₅O₂S
Molecular Weight:
433.95
Synonyms:
None
SMILES:
N(C)(C1=C2C(N(S(=O)(=O)C3=CC=C(C)C=C3)C=C2)=NC(Cl)=N1)[C@@H]4[C@H](C)CCNC4
Tpsa:
80.12
Logp:
3.06432
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₈N₂O
Molecular Weight: 172.18
Synonyms: None
SMILES: N#CC1=CC=C(OCC)C(C#N)=C1
Tpsa: 56.81
Logp: 1.82866
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₈N₂O
Molecular Weight:
172.18
Synonyms:
None
SMILES:
N#CC1=CC=C(OCC)C(C#N)=C1
Tpsa:
56.81
Logp:
1.82866
H Acceptors:
3
H Donors:
0
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: C₁₇H₂₃NO₃
Molecular Weight: 289.37
Synonyms: None
SMILES: O(C(C(CO)C1=CC=CC=C1)=O)[C@H]2C[C@]3(N(C)[C@@](C2)(CC3)[H])[H]
Tpsa: 49.77
Logp: 1.9309
H Acceptors: 4
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:
C₁₇H₂₃NO₃
Molecular Weight:
289.37
Synonyms:
None
SMILES:
O(C(C(CO)C1=CC=CC=C1)=O)[C@H]2C[C@]3(N(C)[C@@](C2)(CC3)[H])[H]
Tpsa:
49.77
Logp:
1.9309
H Acceptors:
4
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: C₆H₁₁NO₃
Molecular Weight: 145.16
Synonyms: None
SMILES: O=C(OCCNC(=O)C)C
Tpsa: 55.4
Logp: -0.3144
H Acceptors: 3
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:
C₆H₁₁NO₃
Molecular Weight:
145.16
Synonyms:
None
SMILES:
O=C(OCCNC(=O)C)C
Tpsa:
55.4
Logp:
-0.3144
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3