CAS RN: 25339-99-5

SUCROSE MONOLAURATE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260322 250mg / 1g / 5g Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: starshine_CAS25339-99-5
  • Purity/Analytical Methods: >99.0%
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25339-99-5 / [6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dodecanoate

Standard CAS: 25339-99-5 Multi CAS: No

Basic Information

CAS
25339-99-5
Multi CAS
No
Molecular Formula
C24H44O12
Molecular Weight
524.600000
Exact Mass
524.283277
SMILES
CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O
InChI
InChI=1S/C24H44O12/c1-2-3-4-5-6-7-8-9-10-11-17(28)36-24(22(33)20(31)18(29)15(12-25)35-24)23(14-27)21(32)19(30)16(13-26)34-23/h15-16,18-22,25-27,29-33H,2-14H2,1H3/t15-,16-,18-,19-,20+,21+,22-,23+,24+/m1/s1
InChIKey
GCSPRLPXTPMSTL-IBDNADADSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.96
Rotatable bonds
16
H-bond acceptors
12
H-bond donors
7
Molar refractivity
124.36
TPSA
195.6

LogP / Solubility

WLOGP
-0.92
MLOGP
-0.77
XLogP3
1.5
Consensus LogP
-0.06
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble

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)
-6.58

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
8.5

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