CAS No.104018-07-7,(4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one Suppliers

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Molecular Structure:
CAS No.:	104018-07-7
Name:	(4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one

Formula:	C₂₅H₃₅N₂O₁₀P
Molecular Weight:	554.53
Synonyms:	(4-formyl-5-hydroxy-6-methyl-pyridin-3-yl)methoxyphosphonic acid; 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;4-Pyridinecarboxaldehyde,3-hydroxy-2- methyl-5-[(phosphonooxy)methyl]-,compd. with 4-(1-pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)- 1-butanone (1:1);
EINECS:	201-215-5
Boiling Point:	454.5 °C at 760 mmHg
Flash Point:	228.7 °C
PSA:	174.76000
LogP:	3.22640

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Specification

The CAS register number of Buflomedil pyridoxal phosphate is 104018-07-7. It also can be called as (4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one and the IUPAC name about this chemical is (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate; 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one. The molecular formula about this chemical is C₂₅H₃₅N₂O₁₀P and the molecular weight is 554.53.

Physical properties about Buflomedil pyridoxal phosphate are: (1)ACD/LogP: 2.47; (2)ACD/LogD (pH 5.5): -0.62; (3)ACD/LogD (pH 7.4): -0.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.33; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 48 Å²; (11)Flash Point: 228.7 °C; (12)Enthalpy of Vaporization: 71.41 kJ/mol; (13)Boiling Point: 454.5 °C at 760 mmHg; (14)Vapour Pressure: 1.9E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(O)(O)OCc1cnc(c(O)c1C=O)C.O=C(c1c(OC)cc(OC)cc1OC)CCCN2CCCC2
(2)InChI: InChI=1/C17H25NO4.C8H10NO6P/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18;1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h11-12H,4-10H2,1-3H3;2-3,11H,4H2,1H3,(H2,12,13,14)
(3)InChIKey: PFDMMTLRXJOJAK-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C17H25NO4.C8H10NO6P/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18;1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h11-12H,4-10H2,1-3H3;2-3,11H,4H2,1H3,(H2,12,13,14)
(5)Std. InChIKey: PFDMMTLRXJOJAK-UHFFFAOYSA-N