CS-0047667
(12aR)-7-(Benzyloxy)-12-(7,8-difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-yl)-3,4,12,12a-tetrahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione
Manufacturer: ChemScene
CAS Number: None
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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
C₃₁H₂₅F₂N₃O₄S
Molecular Weight
573.61
Synonyms
None
SMILES
O=C1N2[C@](COCC2)([H])N(C3C4=CC=CC=C4SCC5=C(F)C(F)=CC=C35)N6C1=C(OCC7=CC=CC=C7)C(C=C6)=O
Tpsa
64.01
Logp
4.8509
H Acceptors
7
H Donors
0
Rotatable Bonds
4
Other Options
...
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: C₃₁H₂₅F₂N₃O₄S
Molecular Weight: 573.61
Synonyms: None
SMILES: O=C1N2[C@](COCC2)([H])N(C3C4=CC=CC=C4SCC5=C(F)C(F)=CC=C35)N6C1=C(OCC7=CC=CC=C7)C(C=C6)=O
Tpsa: 64.01
Logp: 4.8509
H Acceptors: 7
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:
C₃₁H₂₅F₂N₃O₄S
Molecular Weight:
573.61
Synonyms:
None
SMILES:
O=C1N2[C@](COCC2)([H])N(C3C4=CC=CC=C4SCC5=C(F)C(F)=CC=C35)N6C1=C(OCC7=CC=CC=C7)C(C=C6)=O
Tpsa:
64.01
Logp:
4.8509
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD08752232
Storage: -20°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₄ClNO
Molecular Weight: 199.68
Synonyms: Isoquinoline, 1,2,3,4-tetrahydro-5-Methoxy-, hydrochloride
SMILES: COC1=CC=CC2=C1CCNC2.[H]Cl
Tpsa: 21.26
Logp: 1.7627
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD08752232
Storage:
-20°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₄ClNO
Molecular Weight:
199.68
Synonyms:
Isoquinoline, 1,2,3,4-tetrahydro-5-Methoxy-, hydrochloride
SMILES:
COC1=CC=CC2=C1CCNC2.[H]Cl
Tpsa:
21.26
Logp:
1.7627
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₉BrO₃
Molecular Weight: 315.20
Synonyms: None
SMILES: O=C(OC)CC1=CC=C(OCCCCCBr)C=C1
Tpsa: 35.53
Logp: 3.3461
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 8
Purity:
97%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₉BrO₃
Molecular Weight:
315.20
Synonyms:
None
SMILES:
O=C(OC)CC1=CC=C(OCCCCCBr)C=C1
Tpsa:
35.53
Logp:
3.3461
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: C₁₃H₁₇IO₃
Molecular Weight: 348.18
Synonyms: None
SMILES: O=C(O)CC1=CC=C(OCCCCCI)C=C1
Tpsa: 46.53
Logp: 3.2978
H Acceptors: 2
H Donors: 1
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:
C₁₃H₁₇IO₃
Molecular Weight:
348.18
Synonyms:
None
SMILES:
O=C(O)CC1=CC=C(OCCCCCI)C=C1
Tpsa:
46.53
Logp:
3.2978
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
8