CS-0536282
((1R,2R)-2-(((3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl)cyclohexyl)methyl 4-(benzo[d]isothiazol-3-yl)piperazine-1-carboxylate
Manufacturer: ChemScene
CAS Number: 1807983-62-5
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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
C₂₉H₃₆N₄O₄S
Molecular Weight
536.69
Synonyms
None
SMILES
O=C1[C@@]2([C@@]([C@H]3C[C@@H]2CC3)(C(=O)N1C[C@H]4[C@H](COC(=O)N5CCN(CC5)C=6C=7C(SN6)=CC=CC7)CCCC4)[H])[H]
Tpsa
83.05
Logp
4.3924
H Acceptors
7
H Donors
0
Rotatable Bonds
5
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: C₂₉H₃₆N₄O₄S
Molecular Weight: 536.69
Synonyms: None
SMILES: O=C1[C@@]2([C@@]([C@H]3C[C@@H]2CC3)(C(=O)N1C[C@H]4[C@H](COC(=O)N5CCN(CC5)C=6C=7C(SN6)=CC=CC7)CCCC4)[H])[H]
Tpsa: 83.05
Logp: 4.3924
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₃₆N₄O₄S
Molecular Weight:
536.69
Synonyms:
None
SMILES:
O=C1[C@@]2([C@@]([C@H]3C[C@@H]2CC3)(C(=O)N1C[C@H]4[C@H](COC(=O)N5CCN(CC5)C=6C=7C(SN6)=CC=CC7)CCCC4)[H])[H]
Tpsa:
83.05
Logp:
4.3924
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₄Cl₂N₂
Molecular Weight: 291.26
Synonyms: Tofacitinib-3
SMILES: C[C@@H]1CCN(C[C@H]1NC)CC2=CC=CC=C2.Cl.Cl
Tpsa: 15.27
Logp: 2.96
H Acceptors: 2
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:
C₁₄H₂₄Cl₂N₂
Molecular Weight:
291.26
Synonyms:
Tofacitinib-3
SMILES:
C[C@@H]1CCN(C[C@H]1NC)CC2=CC=CC=C2.Cl.Cl
Tpsa:
15.27
Logp:
2.96
H Acceptors:
2
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: C₁₀H₁₀N₄O₃S₂
Molecular Weight: 298.34
Synonyms: N-(4-(2-amino-2-oxoethyl)thiazol-2-yl)-2-(2-aminothiazol-4-yl) acetamide
SMILES: O=C(O)CC=1N=C(SC1)NC(=O)CC=2N=C(SC2)N
Tpsa: 118.2
Logp: 0.9901
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀N₄O₃S₂
Molecular Weight:
298.34
Synonyms:
N-(4-(2-amino-2-oxoethyl)thiazol-2-yl)-2-(2-aminothiazol-4-yl) acetamide
SMILES:
O=C(O)CC=1N=C(SC1)NC(=O)CC=2N=C(SC2)N
Tpsa:
118.2
Logp:
0.9901
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₆Br₂N₂O
Molecular Weight: 388.10
Synonyms: Ambroxol-6
SMILES: BrC1=C2C(CN(C=N2)[C@H]3CC[C@H](O)CC3)=CC(Br)=C1
Tpsa: 35.83
Logp: 3.9905
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₆Br₂N₂O
Molecular Weight:
388.10
Synonyms:
Ambroxol-6
SMILES:
BrC1=C2C(CN(C=N2)[C@H]3CC[C@H](O)CC3)=CC(Br)=C1
Tpsa:
35.83
Logp:
3.9905
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1