CS-1099677
7H-Pyrrolo[2,3-d]pyrimidine-7-propanoic acid, 4-[bis[(1,1-dimethylethoxy)carbonyl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
Manufacturer: ChemScene
CAS Number: 3032857-19-2
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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
C₂₉H₄₅BN₄O₈
Molecular Weight
588.50
Synonyms
None
SMILES
O=C(OC(C)(C)C)CCN1C=C(B2OC(C)(C)C(C)(C)O2)C3=C(N(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)N=CN=C31
Tpsa
131.31
Logp
5.1389
H Acceptors
11
H Donors
0
Rotatable Bonds
5
Related Products
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: C₂₉H₄₅BN₄O₈
Molecular Weight: 588.50
Synonyms: None
SMILES: O=C(OC(C)(C)C)CCN1C=C(B2OC(C)(C)C(C)(C)O2)C3=C(N(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)N=CN=C31
Tpsa: 131.31
Logp: 5.1389
H Acceptors: 11
H Donors: 0
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:
C₂₉H₄₅BN₄O₈
Molecular Weight:
588.50
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)CCN1C=C(B2OC(C)(C)C(C)(C)O2)C3=C(N(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)N=CN=C31
Tpsa:
131.31
Logp:
5.1389
H Acceptors:
11
H Donors:
0
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: C₂₅H₃₉BN₄O₆
Molecular Weight: 502.41
Synonyms: None
SMILES: O=C(OC(C)(C)C)N(C1=C2C(N(C(C)C)C=C2B3OC(C)(C)C(C)(C)O3)=NC=N1)C(OC(C)(C)C)=O
Tpsa: 105.01
Logp: 4.988
H Acceptors: 9
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:
C₂₅H₃₉BN₄O₆
Molecular Weight:
502.41
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N(C1=C2C(N(C(C)C)C=C2B3OC(C)(C)C(C)(C)O3)=NC=N1)C(OC(C)(C)C)=O
Tpsa:
105.01
Logp:
4.988
H Acceptors:
9
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: C₈H₆N₂OS
Molecular Weight: 178.21
Synonyms: None
SMILES: N#CC(S1)=CC(CCN2)=C1C2=O
Tpsa: 52.89
Logp: 0.90568
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆N₂OS
Molecular Weight:
178.21
Synonyms:
None
SMILES:
N#CC(S1)=CC(CCN2)=C1C2=O
Tpsa:
52.89
Logp:
0.90568
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₈ClN₃
Molecular Weight: 181.62
Synonyms: None
SMILES: NCC1=CC(Cl)=C2C(N=CN2)=C1
Tpsa: 54.7
Logp: 1.675
H Acceptors: 2
H Donors: 2
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:
C₈H₈ClN₃
Molecular Weight:
181.62
Synonyms:
None
SMILES:
NCC1=CC(Cl)=C2C(N=CN2)=C1
Tpsa:
54.7
Logp:
1.675
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1