CS-1002833
(4R,12aS)-N-[(2-Fluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-methoxy-4-methyl-6,8-dioxo-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide
Manufacturer: ChemScene
CAS Number: 2244245-36-9
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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
C₂₁H₂₂FN₃O₅
Molecular Weight
415.41
Synonyms
None
SMILES
O(C)C1=C2N(C=C(C(NCC3=C(F)C=CC=C3)=O)C1=O)C[C@]4(N(C2=O)[C@H](C)CCO4)[H]
Tpsa
89.87
Logp
1.5167
H Acceptors
6
H Donors
1
Rotatable Bonds
4
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: C₂₁H₂₂FN₃O₅
Molecular Weight: 415.41
Synonyms: None
SMILES: O(C)C1=C2N(C=C(C(NCC3=C(F)C=CC=C3)=O)C1=O)C[C@]4(N(C2=O)[C@H](C)CCO4)[H]
Tpsa: 89.87
Logp: 1.5167
H Acceptors: 6
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:
C₂₁H₂₂FN₃O₅
Molecular Weight:
415.41
Synonyms:
None
SMILES:
O(C)C1=C2N(C=C(C(NCC3=C(F)C=CC=C3)=O)C1=O)C[C@]4(N(C2=O)[C@H](C)CCO4)[H]
Tpsa:
89.87
Logp:
1.5167
H Acceptors:
6
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: C₁₉H₁₉NO₃
Molecular Weight: 309.36
Synonyms: None
SMILES: O=C(OC)C(C1=CC=C(C=C1)N2C(=O)C=3C=CC=CC3C2)CC
Tpsa: 46.61
Logp: 3.5136
H Acceptors: 3
H Donors: 0
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:
C₁₉H₁₉NO₃
Molecular Weight:
309.36
Synonyms:
None
SMILES:
O=C(OC)C(C1=CC=C(C=C1)N2C(=O)C=3C=CC=CC3C2)CC
Tpsa:
46.61
Logp:
3.5136
H Acceptors:
3
H Donors:
0
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: C₂₁H₂₂ClN₃
Molecular Weight: 351.87
Synonyms: None
SMILES: ClCCCC(C=1C=CN=CC1)C(C=2C=CN=CC2)CC=3C=CN=CC3
Tpsa: 38.67
Logp: 5.0007
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₂ClN₃
Molecular Weight:
351.87
Synonyms:
None
SMILES:
ClCCCC(C=1C=CN=CC1)C(C=2C=CN=CC2)CC=3C=CN=CC3
Tpsa:
38.67
Logp:
5.0007
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₁N₃O₂
Molecular Weight: 217.22
Synonyms: None
SMILES: O=C(N)C1=CC=2C(=NC=CC2N)C=C1OC
Tpsa: 91.23
Logp: 0.9245
H Acceptors: 4
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:
C₁₁H₁₁N₃O₂
Molecular Weight:
217.22
Synonyms:
None
SMILES:
O=C(N)C1=CC=2C(=NC=CC2N)C=C1OC
Tpsa:
91.23
Logp:
0.9245
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2