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CAS 205242-62-2 (2R)-2-[[[3-(4-MORPHOLINYLMETHYL)-2H-1-BENZOPYRAN-8-YL]OXY]METHYL]MORPHOLINE DIMETHANESULFONATE molecular structure lightbox
CAS RN: 205242-62-2

(2R)-2-[[[3-(4-MORPHOLINYLMETHYL)-2H-1-BENZOPYRAN-8-YL]OXY]METHYL]MORPHOLINE DIMETHANESULFONATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260607 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS205242-62-2
  • Purity/Analytical Methods: >99.0%
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205242-62-2 / methanesulfonic acid;(2R)-2-[[3-(morpholin-4-ylmethyl)-2H-chromen-8-yl]oxymethyl]morpholine

Standard CAS: 205242-62-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
205242-62-2
Multi CAS
No
Molecular Formula
C20H30N2O7S
Molecular Weight
442.500000
Exact Mass
442.177372
SMILES
CS(=O)(=O)O.C1CO[C@H](CN1)COC2=CC=CC3=C2OCC(=C3)CN4CCOCC4
InChI
InChI=1S/C19H26N2O4.CH4O3S/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17;1-5(2,3)4/h1-3,10,17,20H,4-9,11-14H2;1H3,(H,2,3,4)/t17-;/m1./s1
InChIKey
JDFGAOJLDPTWBF-UNTBIKODSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
2
Molar refractivity
112.75
TPSA
106.56

LogP / Solubility

WLOGP
0.67
MLOGP
0.62
XLogP3
0.67
Consensus LogP
0.65
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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