[email protected]
CAS 103536-97-6 2,5-di-O-allyl-1,4:3,6-dianhydro-D-glucitol molecular structure lightbox
CAS RN: 103536-97-6

2,5-di-O-allyl-1,4:3,6-dianhydro-D-glucitol

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260613 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS103536-97-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

103536-97-6 / (3R,3aR,6R,6aR)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

3,6-Bis(allyloxy)hexahydrofuro[3,2-b]furan | MFCD28369507 | MLS002608263

Standard CAS: 103536-97-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103536-97-6
Multi CAS
Yes
Molecular Formula
C12H18O4
Molecular Weight
226.270000
Exact Mass
226.120509
SMILES
C=CCO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OCC=C
InChI
InChI=1S/C12H18O4/c1-3-5-13-9-7-15-12-10(14-6-4-2)8-16-11(9)12/h3-4,9-12H,1-2,5-8H2/t9-,10-,11-,12-/m1/s1
InChIKey
VPRMGOPLYBDBLB-DDHJBXDOSA-N
Synonyms
3,6-Bis(allyloxy)hexahydrofuro[3,2-b]furan MFCD28369507 MLS002608263 1,4:3,6-dianhydro-2,5-di-o-prop-2-en-1-ylhexitol SCHEMBL5274042

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
59.35
TPSA
36.92

LogP / Solubility

WLOGP
0.93
MLOGP
0.82
XLogP3
0.7
Consensus LogP
0.82
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.44

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us