CS-0914540
(R)-3-(3-(((3,4-dimethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl)methyl)(methyl)amino)propyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-benzo[d]azepin-2-one
Manufacturer: ChemScene
CAS Number: 167072-91-5
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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
C₂₇H₃₆N₂O₅
Molecular Weight
468.59
Synonyms
None
SMILES
C(N(CCCN1C(=O)CC=2C(CC1)=CC(OC)=C(OC)C2)C)[C@H]3C=4C(C3)=CC(OC)=C(OC)C4
Tpsa
60.47
Logp
3.31
H Acceptors
6
H Donors
0
Rotatable Bonds
10
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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: C₂₇H₃₆N₂O₅
Molecular Weight: 468.59
Synonyms: None
SMILES: C(N(CCCN1C(=O)CC=2C(CC1)=CC(OC)=C(OC)C2)C)[C@H]3C=4C(C3)=CC(OC)=C(OC)C4
Tpsa: 60.47
Logp: 3.31
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₆N₂O₅
Molecular Weight:
468.59
Synonyms:
None
SMILES:
C(N(CCCN1C(=O)CC=2C(CC1)=CC(OC)=C(OC)C2)C)[C@H]3C=4C(C3)=CC(OC)=C(OC)C4
Tpsa:
60.47
Logp:
3.31
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₈ClNO₂
Molecular Weight: 243.73
Synonyms: None
SMILES: C(NC)[C@H]1C=2C(C1)=CC(OC)=C(OC)C2.Cl
Tpsa: 30.49
Logp: 1.9847
H Acceptors: 3
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:
C₁₂H₁₈ClNO₂
Molecular Weight:
243.73
Synonyms:
None
SMILES:
C(NC)[C@H]1C=2C(C1)=CC(OC)=C(OC)C2.Cl
Tpsa:
30.49
Logp:
1.9847
H Acceptors:
3
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: C₂₇H₃₇ClN₂O₅
Molecular Weight: 505.05
Synonyms: None
SMILES: O(C)C=1C=C2C(=CC1OC)CCN(CCCN(C[C@@H](CCl)C3=CC(OC)=C(OC)C=C3)C)C(=O)C2
Tpsa: 60.47
Logp: 3.9927
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₇ClN₂O₅
Molecular Weight:
505.05
Synonyms:
None
SMILES:
O(C)C=1C=C2C(=CC1OC)CCN(CCCN(C[C@@H](CCl)C3=CC(OC)=C(OC)C=C3)C)C(=O)C2
Tpsa:
60.47
Logp:
3.9927
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₂ClN₅O
Molecular Weight: 337.76
Synonyms: None
SMILES: ClC1=CC=C(OC=2C=CC(=CC2)C3=NNC=4N=CN=C(N)C43)C=C1
Tpsa: 89.71
Logp: 4.0478
H Acceptors: 5
H Donors: 2
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:
C₁₇H₁₂ClN₅O
Molecular Weight:
337.76
Synonyms:
None
SMILES:
ClC1=CC=C(OC=2C=CC(=CC2)C3=NNC=4N=CN=C(N)C43)C=C1
Tpsa:
89.71
Logp:
4.0478
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
3