CS-1002280
1,3-Benzenedicarboxylic acid, 5-nitro-, compd. with (αS)-(3S)-1-methylpyrrolidinyl α-cyclopentyl-α-hydroxybenzeneacetate 1:1
Manufacturer: ChemScene
CAS Number: 1883451-15-7
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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
C₂₆H₃₀N₂O₉
Molecular Weight
514.52
Synonyms
None
SMILES
C(O)(=O)C1=CC(C(O)=O)=CC(N(=O)=O)=C1.[C@](C(O[C@@H]1CN(C)CC1)=O)(O)(C2CCCC2)C3=CC=CC=C3
Tpsa
167.51
Logp
3.3029
H Acceptors
8
H Donors
3
Rotatable Bonds
7
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: C₂₆H₃₀N₂O₉
Molecular Weight: 514.52
Synonyms: None
SMILES: C(O)(=O)C1=CC(C(O)=O)=CC(N(=O)=O)=C1.[C@](C(O[C@@H]1CN(C)CC1)=O)(O)(C2CCCC2)C3=CC=CC=C3
Tpsa: 167.51
Logp: 3.3029
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₃₀N₂O₉
Molecular Weight:
514.52
Synonyms:
None
SMILES:
C(O)(=O)C1=CC(C(O)=O)=CC(N(=O)=O)=C1.[C@](C(O[C@@H]1CN(C)CC1)=O)(O)(C2CCCC2)C3=CC=CC=C3
Tpsa:
167.51
Logp:
3.3029
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
7
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₄O₂
Molecular Weight: 178.23
Synonyms: None
SMILES: O=CC=1C(=CC(=C(OC)C1C)C)C
Tpsa: 26.3
Logp: 2.43296
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₄O₂
Molecular Weight:
178.23
Synonyms:
None
SMILES:
O=CC=1C(=CC(=C(OC)C1C)C)C
Tpsa:
26.3
Logp:
2.43296
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₀H₃₉N₆O₈P
Molecular Weight: 642.64
Synonyms: None
SMILES: C(#N)[C@@]1([C@]2([C@@]([C@@H](COP(OC3=CC=CC=C3)(N[C@H](C(OCC(CC)CC)=O)C)=O)O1)(OC(C)(C)O2)[H])[H])C=4N5C(=CC4)C(N)=NC=N5
Tpsa: 181.55
Logp: 4.11048
H Acceptors: 13
H Donors: 2
Rotatable Bonds: 13
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₃₉N₆O₈P
Molecular Weight:
642.64
Synonyms:
None
SMILES:
C(#N)[C@@]1([C@]2([C@@]([C@@H](COP(OC3=CC=CC=C3)(N[C@H](C(OCC(CC)CC)=O)C)=O)O1)(OC(C)(C)O2)[H])[H])C=4N5C(=CC4)C(N)=NC=N5
Tpsa:
181.55
Logp:
4.11048
H Acceptors:
13
H Donors:
2
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₄N₂O₃S
Molecular Weight: 372.48
Synonyms: None
SMILES: O=C(S)CCC(=O)NC1=CC=C(C=C1)CCNCC(O)C=2C=CC=CC2
Tpsa: 78.43
Logp: 2.7274
H Acceptors: 4
H Donors: 4
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₄N₂O₃S
Molecular Weight:
372.48
Synonyms:
None
SMILES:
O=C(S)CCC(=O)NC1=CC=C(C=C1)CCNCC(O)C=2C=CC=CC2
Tpsa:
78.43
Logp:
2.7274
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
10