CS-0102578
(6aS,7R,13S,14R,16R)-16-(Hydroxymethyl)-9-methoxy-8-(methoxymethoxy)-4,10,17-trimethyl-5-oxo-5,5a,6,6a,7,13,14,16-octahydro-12H-7,13-epiminobenzo[4,5]azocino[1,2-b][1,3]dioxolo[4,5-h]isoquinoline-14-carbonitrile
Manufacturer: ChemScene
CAS Number: 2081945-60-8
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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
C₂₈H₃₃N₃O₇
Molecular Weight
523.58
Synonyms
None
SMILES
CC1=C(OCO2)C2=C([C@H](CO)N([C@@H](C#N)[C@@]3([H])N(C)[C@]4([H])C5=C(C=C(C)C(OC)=C5OCOC)C3)[C@@]4([H])C6)C6([H])C1=O
Tpsa
113.72
Logp
1.9562
H Acceptors
10
H Donors
1
Rotatable Bonds
5
Other Options
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: C₂₈H₃₃N₃O₇
Molecular Weight: 523.58
Synonyms: None
SMILES: CC1=C(OCO2)C2=C([C@H](CO)N([C@@H](C#N)[C@@]3([H])N(C)[C@]4([H])C5=C(C=C(C)C(OC)=C5OCOC)C3)[C@@]4([H])C6)C6([H])C1=O
Tpsa: 113.72
Logp: 1.9562
H Acceptors: 10
H Donors: 1
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:
C₂₈H₃₃N₃O₇
Molecular Weight:
523.58
Synonyms:
None
SMILES:
CC1=C(OCO2)C2=C([C@H](CO)N([C@@H](C#N)[C@@]3([H])N(C)[C@]4([H])C5=C(C=C(C)C(OC)=C5OCOC)C3)[C@@]4([H])C6)C6([H])C1=O
Tpsa:
113.72
Logp:
1.9562
H Acceptors:
10
H Donors:
1
Rotatable Bonds:
5
Purity: 97%
MDL No: MFCD15144329
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₆N₄O
Molecular Weight: 150.14
Synonyms: None
SMILES: N#CC1=NC=C(N)N=C1OC
Tpsa: 84.82
Logp: -0.06092
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
MFCD15144329
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₆N₄O
Molecular Weight:
150.14
Synonyms:
None
SMILES:
N#CC1=NC=C(N)N=C1OC
Tpsa:
84.82
Logp:
-0.06092
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1
Purity: 96%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₂N₂S
Molecular Weight: 168.26
Synonyms: 4-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILES: NC1=NC(C(C)CCC2)=C2S1
Tpsa: 38.91
Logp: 2.1651
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
96%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₂N₂S
Molecular Weight:
168.26
Synonyms:
4-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILES:
NC1=NC(C(C)CCC2)=C2S1
Tpsa:
38.91
Logp:
2.1651
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃F₂NO₄
Molecular Weight: 273.23
Synonyms: None
SMILES: O=C(OC(C)(C)C)NC1=C2OC(F)(F)OC2=CC=C1
Tpsa: 56.79
Logp: 3.3551
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃F₂NO₄
Molecular Weight:
273.23
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)NC1=C2OC(F)(F)OC2=CC=C1
Tpsa:
56.79
Logp:
3.3551
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1