CS-0914542
(S)-3-(3-((3-chloro-2-(3,4-dimethoxyphenyl)propyl)(methyl)amino) propyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-benzo[d]azepin-2-one hydrochloride
Manufacturer: ChemScene
CAS Number: 2768438-46-4
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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
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
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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: 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
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₈N₆O
Molecular Weight: 310.35
Synonyms: None
SMILES: NC1=C2C(=NN(C2=NC=N1)[C@@H]3CCCNC3)C4=CC=C(O)C=C4
Tpsa: 101.88
Logp: 1.7056
H Acceptors: 7
H Donors: 3
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:
C₁₆H₁₈N₆O
Molecular Weight:
310.35
Synonyms:
None
SMILES:
NC1=C2C(=NN(C2=NC=N1)[C@@H]3CCCNC3)C4=CC=C(O)C=C4
Tpsa:
101.88
Logp:
1.7056
H Acceptors:
7
H Donors:
3
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: C₂₀H₂₂N₂O
Molecular Weight: 306.40
Synonyms: None
SMILES: OC(C=1N=CN(C1)CC=2C=CC=CC2)(C=3C=CC=C(C3C)C)C
Tpsa: 38.05
Logp: 3.80404
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:
C₂₀H₂₂N₂O
Molecular Weight:
306.40
Synonyms:
None
SMILES:
OC(C=1N=CN(C1)CC=2C=CC=CC2)(C=3C=CC=C(C3C)C)C
Tpsa:
38.05
Logp:
3.80404
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4