CS-1001341
Sodium rel-(4S,6S)-4-(ethylamino)-N-[[(4R,6R)-4-(ethylamino)-5,6-dihydro-6-methyl-7,7-dioxido-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]-5,6-dihydro-6-methyl-4H-thieno[2,3-b]thiopyran-2-sulfonamide
Manufacturer: ChemScene
CAS Number: 1417579-07-7
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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
C₂₀H₂₉N₃NaO₈S₆
Molecular Weight
654.84
Synonyms
None
SMILES
N(CC)[C@@H]1C2=C(SC(S(NS(=O)(=O)C3=CC4=C(S3)S(=O)(=O)[C@@H](C)C[C@@H]4NCC)(=O)=O)=C2)S(=O)(=O)[C@@H](C)C1.[Na]
Tpsa
172.65
Logp
1.529
H Acceptors
12
H Donors
3
Rotatable Bonds
8
Related Products
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: C₂₀H₂₉N₃NaO₈S₆
Molecular Weight: 654.84
Synonyms: None
SMILES: N(CC)[C@@H]1C2=C(SC(S(NS(=O)(=O)C3=CC4=C(S3)S(=O)(=O)[C@@H](C)C[C@@H]4NCC)(=O)=O)=C2)S(=O)(=O)[C@@H](C)C1.[Na]
Tpsa: 172.65
Logp: 1.529
H Acceptors: 12
H Donors: 3
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:
C₂₀H₂₉N₃NaO₈S₆
Molecular Weight:
654.84
Synonyms:
None
SMILES:
N(CC)[C@@H]1C2=C(SC(S(NS(=O)(=O)C3=CC4=C(S3)S(=O)(=O)[C@@H](C)C[C@@H]4NCC)(=O)=O)=C2)S(=O)(=O)[C@@H](C)C1.[Na]
Tpsa:
172.65
Logp:
1.529
H Acceptors:
12
H Donors:
3
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: C₂₀H₂₃N₅O₉
Molecular Weight: 477.42
Synonyms: None
SMILES: C(CC1=CC=C(C(N[C@H](CCC(O)=O)C(O)=O)=O)C=C1)C2(O)C3=C(NC2O)N(O)C(N)=NC3=O
Tpsa: 237.33
Logp: -1.3251
H Acceptors: 11
H Donors: 8
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₃N₅O₉
Molecular Weight:
477.42
Synonyms:
None
SMILES:
C(CC1=CC=C(C(N[C@H](CCC(O)=O)C(O)=O)=O)C=C1)C2(O)C3=C(NC2O)N(O)C(N)=NC3=O
Tpsa:
237.33
Logp:
-1.3251
H Acceptors:
11
H Donors:
8
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₄ClF₂N₃O₃
Molecular Weight: 275.60
Synonyms: None
SMILES: O=N(=O)C1=CC=2C(Cl)=NC=NC2C=C1OC(F)F
Tpsa: 78.15
Logp: 2.7928
H Acceptors: 5
H Donors: 0
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:
C₉H₄ClF₂N₃O₃
Molecular Weight:
275.60
Synonyms:
None
SMILES:
O=N(=O)C1=CC=2C(Cl)=NC=NC2C=C1OC(F)F
Tpsa:
78.15
Logp:
2.7928
H Acceptors:
5
H Donors:
0
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: C₉H₅F₂N₃O₄
Molecular Weight: 257.15
Synonyms: None
SMILES: O=C1N=CNC2=CC(OC(F)F)=C(C=C12)N(=O)=O
Tpsa: 98.12
Logp: 1.4327
H Acceptors: 5
H Donors: 1
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:
C₉H₅F₂N₃O₄
Molecular Weight:
257.15
Synonyms:
None
SMILES:
O=C1N=CNC2=CC(OC(F)F)=C(C=C12)N(=O)=O
Tpsa:
98.12
Logp:
1.4327
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3