[email protected]
CAS 235753-82-9 Methyl4-[(acetylsulfanyl)methyl]oxane-4-carboxylate molecular structure lightbox
CAS RN: 235753-82-9

Methyl4-[(acetylsulfanyl)methyl]oxane-4-carboxylate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260611 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS235753-82-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

235753-82-9 / methyl 4-(acetylsulfanylmethyl)oxane-4-carboxylate

Standard CAS: 235753-82-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
235753-82-9
Multi CAS
No
Molecular Formula
C10H16O4S
Molecular Weight
232.300000
Exact Mass
232.076930
SMILES
CC(=O)SCC1(CCOCC1)C(=O)OC
InChI
InChI=1S/C10H16O4S/c1-8(11)15-7-10(9(12)13-2)3-5-14-6-4-10/h3-7H2,1-2H3
InChIKey
SBKWLRQWJCVHOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
57.64
TPSA
52.6

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
0.7
Consensus LogP
1.01
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-3.26

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
1.5

Customers Also Viewed

Get In Touch

Contact Us