CS-1000981
23H,25H-Benzo[b]porphine-9,13-dipropanoic acid, 19-ethenyl-1,22a-dihydro-1,2-bis(methoxycarbonyl)-8,14,18,22a-tetramethyl-
Manufacturer: ChemScene
CAS Number: 130851-16-0
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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
C₄₀H₄₀N₄O₈
Molecular Weight
704.77
Synonyms
None
SMILES
O=C(OC)C1=CC=C2C3=CC4=NC(=CC=5NC(C=C6N=C(C=C(N3)C2(C)C1C(=O)OC)C(C=C)=C6C)=C(C5CCC(=O)O)C)C(=C4C)CCC(=O)O
Tpsa
184.56
Logp
6.51852
H Acceptors
8
H Donors
4
Rotatable Bonds
9
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: C₄₀H₄₀N₄O₈
Molecular Weight: 704.77
Synonyms: None
SMILES: O=C(OC)C1=CC=C2C3=CC4=NC(=CC=5NC(C=C6N=C(C=C(N3)C2(C)C1C(=O)OC)C(C=C)=C6C)=C(C5CCC(=O)O)C)C(=C4C)CCC(=O)O
Tpsa: 184.56
Logp: 6.51852
H Acceptors: 8
H Donors: 4
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₀H₄₀N₄O₈
Molecular Weight:
704.77
Synonyms:
None
SMILES:
O=C(OC)C1=CC=C2C3=CC4=NC(=CC=5NC(C=C6N=C(C=C(N3)C2(C)C1C(=O)OC)C(C=C)=C6C)=C(C5CCC(=O)O)C)C(=C4C)CCC(=O)O
Tpsa:
184.56
Logp:
6.51852
H Acceptors:
8
H Donors:
4
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₁N₃O₅
Molecular Weight: 241.20
Synonyms: None
SMILES: O=C(O)CC(=O)C=1C(=O)N(C(=O)N(C1N)C)C
Tpsa: 124.39
Logp: -1.6764
H Acceptors: 7
H Donors: 2
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:
C₉H₁₁N₃O₅
Molecular Weight:
241.20
Synonyms:
None
SMILES:
O=C(O)CC(=O)C=1C(=O)N(C(=O)N(C1N)C)C
Tpsa:
124.39
Logp:
-1.6764
H Acceptors:
7
H Donors:
2
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: C₂₉H₄₆O₅
Molecular Weight: 474.67
Synonyms: None
SMILES: C[C@@]12[C@]3(C)[C@](/C(=C(\CCC=C(C)C)/C(O)=O)/[C@@H](O)C3)(C[C@@H](O)[C@]1([C@]4(C)[C@@](CC2)([C@H](C)[C@H](O)CC4)[H])[H])[H]
Tpsa: 97.99
Logp: 5.0953
H Acceptors: 4
H Donors: 4
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₄₆O₅
Molecular Weight:
474.67
Synonyms:
None
SMILES:
C[C@@]12[C@]3(C)[C@](/C(=C(\CCC=C(C)C)/C(O)=O)/[C@@H](O)C3)(C[C@@H](O)[C@]1([C@]4(C)[C@@](CC2)([C@H](C)[C@H](O)CC4)[H])[H])[H]
Tpsa:
97.99
Logp:
5.0953
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₇NO₂
Molecular Weight: 159.23
Synonyms: None
SMILES: O=C(O)CC(CN)C(C)(C)C
Tpsa: 63.32
Logp: 1.0821
H Acceptors: 2
H Donors: 2
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:
C₈H₁₇NO₂
Molecular Weight:
159.23
Synonyms:
None
SMILES:
O=C(O)CC(CN)C(C)(C)C
Tpsa:
63.32
Logp:
1.0821
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3