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CAS 326794-48-3 HYPERBRANCHED BIS-MPA POLYESTER-32-HY& molecular structure lightbox
CAS RN: 326794-48-3

HYPERBRANCHED BIS-MPA POLYESTER-32-HY&

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Batchno.20250831 1g In stock Shanghai Inquiry
Batchno.20260627 1g In stock Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS326794-48-3
  • Purity/Analytical Methods: >99.0%
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326794-48-3 / [3-[3-[2-[2-[3-[2-[3-[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxy-2-[[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxyethoxy]-2,2-bis[2-[3-[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxy-2-[[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxyethoxymethyl]propoxy]ethoxy]ethoxy]-2-[[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-2-methyl-3-oxopropoxy]-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methyl-3-oxopropyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate

Standard CAS: 326794-48-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
326794-48-3
Multi CAS
No
Molecular Formula
C155H256O93
Molecular Weight
3607.600000
Exact Mass
3606.533623
InChI
InChI=1S/C155H256O93/c1-127(39-156,40-157)99(188)225-79-147(21,80-226-100(189)128(2,41-158)42-159)119(208)241-71-143(17,72-242-120(209)148(22,81-227-101(190)129(3,43-160)44-161)82-228-102(191)130(4,45-162)46-163)115(204)221-35-31-216-29-30-217-95-155(96-218-32-36-222-116(205)144(18,73-243-121(210)149(23,83-229-103(192)131(5,47-164)48-165)84-230-104(193)132(6,49-166)50-167)74-244-122(211)150(24,85-231-105(194)133(7,51-168)52-169)86-232-106(195)134(8,53-170)54-171,97-219-33-37-223-117(206)145(19,75-245-123(212)151(25,87-233-107(196)135(9,55-172)56-173)88-234-108(197)136(10,57-174)58-175)76-246-124(213)152(26,89-235-109(198)137(11,59-176)60-177)90-236-110(199)138(12,61-178)62-179)98-220-34-38-224-118(207)146(20,77-247-125(214)153(27,91-237-111(200)139(13,63-180)64-181)92-238-112(201)140(14,65-182)66-183)78-248-126(215)154(28,93-239-113(202)141(15,67-184)68-185)94-240-114(203)142(16,69-186)70-187/h156-187H,29-98H2,1-28H3
InChIKey
IEXLGBFSIFJFKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
248
Fraction Csp3
0.82
Rotatable bonds
131
H-bond acceptors
93
H-bond donors
32
Molar refractivity
817.12
TPSA
1429.91

LogP / Solubility

WLOGP
-14.8
MLOGP
-12.62
XLogP3
-16.2
Consensus LogP
-14.54
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-18.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-26.54
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-35.24

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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