CS-1000935
Capecitabine Impurity 35
Manufacturer: ChemScene
CAS Number: 128963-10-0
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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
C₁₅H₁₈FN₃O₈
Molecular Weight
387.32
Synonyms
None
SMILES
O(C(C)=O)[C@H]1[C@@H](O[C@H](COC(C)=O)[C@H]1OC(C)=O)N2C(=O)N=C(N)C(F)=C2
Tpsa
149.04
Logp
-0.7115
H Acceptors
11
H Donors
1
Rotatable Bonds
5
SAFETY INFORMATION
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: C₁₅H₁₈FN₃O₈
Molecular Weight: 387.32
Synonyms: None
SMILES: O(C(C)=O)[C@H]1[C@@H](O[C@H](COC(C)=O)[C@H]1OC(C)=O)N2C(=O)N=C(N)C(F)=C2
Tpsa: 149.04
Logp: -0.7115
H Acceptors: 11
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:
C₁₅H₁₈FN₃O₈
Molecular Weight:
387.32
Synonyms:
None
SMILES:
O(C(C)=O)[C@H]1[C@@H](O[C@H](COC(C)=O)[C@H]1OC(C)=O)N2C(=O)N=C(N)C(F)=C2
Tpsa:
149.04
Logp:
-0.7115
H Acceptors:
11
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: C₄₃H₆₅NO₁₂
Molecular Weight: 787.98
Synonyms: None
SMILES: O=C1OC(C(=CC2CC(=O)C(O)CC2)C)C(C)C(O)CC(=O)C(C=C(C)CC(C)CC(OC)C3OC(O)(C(=O)C(=O)N4CCCCC14)C(C)CC3OC)CC=C
Tpsa: 186.2
Logp: 4.1931
H Acceptors: 12
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₃H₆₅NO₁₂
Molecular Weight:
787.98
Synonyms:
None
SMILES:
O=C1OC(C(=CC2CC(=O)C(O)CC2)C)C(C)C(O)CC(=O)C(C=C(C)CC(C)CC(OC)C3OC(O)(C(=O)C(=O)N4CCCCC14)C(C)CC3OC)CC=C
Tpsa:
186.2
Logp:
4.1931
H Acceptors:
12
H Donors:
3
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₁FO₃
Molecular Weight: 210.20
Synonyms: None
SMILES: C(OC)(=O)[C@@H]1OC=2C(=CC(F)=CC2)CC1
Tpsa: 35.53
Logp: 1.6923
H Acceptors: 3
H Donors: 0
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:
C₁₁H₁₁FO₃
Molecular Weight:
210.20
Synonyms:
None
SMILES:
C(OC)(=O)[C@@H]1OC=2C(=CC(F)=CC2)CC1
Tpsa:
35.53
Logp:
1.6923
H Acceptors:
3
H Donors:
0
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: C₂₁H₁₆ClF₃N₄O₃
Molecular Weight: 464.82
Synonyms: None
SMILES: O=C(NC1=CC=C(OC=2C=CN=C(C2)C(=O)NC)C=C1)NC3=CC(=CC=C3Cl)C(F)(F)F
Tpsa: 92.35
Logp: 5.5497
H Acceptors: 4
H Donors: 3
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:
C₂₁H₁₆ClF₃N₄O₃
Molecular Weight:
464.82
Synonyms:
None
SMILES:
O=C(NC1=CC=C(OC=2C=CN=C(C2)C(=O)NC)C=C1)NC3=CC(=CC=C3Cl)C(F)(F)F
Tpsa:
92.35
Logp:
5.5497
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
5