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CAS 132362-42-6 10-Hydroxyneoline molecular structure lightbox
CAS RN: 132362-42-6

10-Hydroxyneoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251102 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS132362-42-6
  • Purity/Analytical Methods: >99.0%
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132362-42-6 / (2S,3R,4S,5S,6S,8S,13S,16S,17R,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-2,4,8,16-tetrol

Standard CAS: 132362-42-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132362-42-6
Multi CAS
No
Molecular Formula
C24H39NO7
Molecular Weight
453.600000
Exact Mass
453.272653
SMILES
CCN1C[C@@]2(CC[C@@H](C34[C@@H]2[C@H](C(C31)[C@]5(C[C@@H]([C@H]6C[C@@]4([C@@H]5[C@H]6O)O)OC)O)OC)O)COC
InChI
InChI=1S/C24H39NO7/c1-5-25-10-21(11-30-2)7-6-14(26)24-19(21)17(32-4)15(20(24)25)22(28)9-13(31-3)12-8-23(24,29)18(22)16(12)27/h12-20,26-29H,5-11H2,1-4H3/t12-,13+,14+,15?,16+,17+,18-,19-,20-,21+,22+,23+,24-/m1/s1
InChIKey
COLAMBKEZAEWGO-QFPSUAGYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
4
Molar refractivity
113.71
TPSA
111.85

LogP / Solubility

WLOGP
-0.38
MLOGP
-0.31
XLogP3
-1.1
Consensus LogP
-0.6
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-5.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10

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