CS-1002583
1-[4-[(4-Carboxybenzoyl)oxy]butyl] 4-[4-[[4-[(4-hydroxybutoxy)carbonyl]benzoyl]oxy]butyl] 1,4-benzenedicarboxylate
Manufacturer: ChemScene
CAS Number: 210566-88-4
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₆H₃₈O₁₃
Molecular Weight
678.68
Synonyms
None
SMILES
O=C(O)C1=CC=C(C=C1)C(=O)OCCCCOC(=O)C2=CC=C(C=C2)C(=O)OCCCCOC(=O)C3=CC=C(C=C3)C(=O)OCCCCO
Tpsa
189.03
Logp
4.9021
H Acceptors
12
H Donors
2
Rotatable Bonds
20
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₆H₃₈O₁₃
Molecular Weight: 678.68
Synonyms: None
SMILES: O=C(O)C1=CC=C(C=C1)C(=O)OCCCCOC(=O)C2=CC=C(C=C2)C(=O)OCCCCOC(=O)C3=CC=C(C=C3)C(=O)OCCCCO
Tpsa: 189.03
Logp: 4.9021
H Acceptors: 12
H Donors: 2
Rotatable Bonds: 20
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₆H₃₈O₁₃
Molecular Weight:
678.68
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C=C1)C(=O)OCCCCOC(=O)C2=CC=C(C=C2)C(=O)OCCCCOC(=O)C3=CC=C(C=C3)C(=O)OCCCCO
Tpsa:
189.03
Logp:
4.9021
H Acceptors:
12
H Donors:
2
Rotatable Bonds:
20
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₄N₄O₄
Molecular Weight: 432.47
Synonyms: None
SMILES: C([C@H](C(N[C@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)=O)NC(C)=O)C=3C=4C(NC3)=CC=CC4
Tpsa: 127.08
Logp: 2.5085
H Acceptors: 3
H Donors: 5
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:
C₂₄H₂₄N₄O₄
Molecular Weight:
432.47
Synonyms:
None
SMILES:
C([C@H](C(N[C@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)=O)NC(C)=O)C=3C=4C(NC3)=CC=CC4
Tpsa:
127.08
Logp:
2.5085
H Acceptors:
3
H Donors:
5
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: C₂₁H₂₆O₃
Molecular Weight: 326.43
Synonyms: None
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3=O)[C@@H](C(C)=O)CC4)[H])(C=CC1=CC(=O)CC2)[H])[H]
Tpsa: 51.21
Logp: 3.6785
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:
C₂₁H₂₆O₃
Molecular Weight:
326.43
Synonyms:
None
SMILES:
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3=O)[C@@H](C(C)=O)CC4)[H])(C=CC1=CC(=O)CC2)[H])[H]
Tpsa:
51.21
Logp:
3.6785
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: C₁₄H₂₀N₂
Molecular Weight: 216.32
Synonyms: None
SMILES: N(=C1CN(CC=2C=CC=CC2)CCC1C)C
Tpsa: 15.6
Logp: 2.5992
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₀N₂
Molecular Weight:
216.32
Synonyms:
None
SMILES:
N(=C1CN(CC=2C=CC=CC2)CCC1C)C
Tpsa:
15.6
Logp:
2.5992
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2