CS-0655045

2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol

Manufacturer: ChemScene

CAS Number: 166583-12-6

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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

C₂₁H₂₁F₂N₃O₄S

Molecular Weight

449.47

Synonyms

None

SMILES

FC(C=C(F)C=C1)=C1[C@]2(CN3C=NC=N3)C[C@H](COS(C4=CC=C(C)C=C4)(=O)=O)CO2

Tpsa

83.31

Logp

3.20222

H Acceptors

7

H Donors

0

Rotatable Bonds

7

SAFETY INFORMATION

ghsPictogramUrl

https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg

Pictograms

GHS07

Signal Word

Warning

UN Number

N/A

Class

N/A

Packing Group

N/A

Hazard Statements

H302-H315-H319-H335

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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Img

ChemScene

CS-0655045

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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:
C₂₁H₂₁F₂N₃O₄S

Molecular Weight:
449.47

Synonyms:
None

SMILES:
FC(C=C(F)C=C1)=C1[C@]2(CN3C=NC=N3)C[C@H](COS(C4=CC=C(C)C=C4)(=O)=O)CO2

Tpsa:
83.31

Logp:
3.20222

H Acceptors:
7

H Donors:
0

Rotatable Bonds:
7

Img

ChemScene

CS-0655046

--


Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₁H₁₆ClNO₄

Molecular Weight:
261.70

Synonyms:
None

SMILES:
COC([C@@](C)(N)CC1=CC(O)=C(C=C1)O)=O.Cl

Tpsa:
92.78

Logp:
0.9525

H Acceptors:
5

H Donors:
3

Rotatable Bonds:
3

Img

ChemScene

CS-0655047

--


Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₃₇H₄₂F₂N₈O₄

Molecular Weight:
700.78

Synonyms:
None

SMILES:
C[C@@H](O)[C@H](CC)N(C1=O)N=CN1C(C=C2)=CC=C2N(CC3)CCN3C4=CC=C(OC[C@@H]5CO[C@@](CN6C=NC=N6)(C7=CC=C(F)C=C7F)C5)C=C4

Tpsa:
115.7

Logp:
4.5732

H Acceptors:
12

H Donors:
1

Rotatable Bonds:
12

Img

ChemScene

CS-0655048

--


Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₁H₁₅NO₄

Molecular Weight:
225.24

Synonyms:
None

SMILES:
COC([C@@](C)(N)CC1=CC(O)=C(C=C1)O)=O

Tpsa:
92.78

Logp:
0.5307

H Acceptors:
5

H Donors:
3

Rotatable Bonds:
3