[email protected]
CAS 108499-26-9 ACETIC ACID, [(2-FURANYLMETHYL)SULFINYL]- molecular structure lightbox
CAS RN: 108499-26-9

ACETIC ACID, [(2-FURANYLMETHYL)SULFINYL]-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260415 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS108499-26-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

108499-26-9 / 2-(furan-2-ylmethylsulfinyl)acetic acid

2-((Furan-2-ylmethyl)sulfinyl)acetic acid | Acetic acid, [(2-furanylmethyl)sulfinyl]- | 2-(furan-2-ylmethylsulfinyl)acetic acid

Standard CAS: 108499-26-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
108499-26-9
Multi CAS
No
Molecular Formula
C7H8O4S
Molecular Weight
188.200000
Exact Mass
188.014330
SMILES
C1=COC(=C1)CS(=O)CC(=O)O
InChI
InChI=1S/C7H8O4S/c8-7(9)5-12(10)4-6-2-1-3-11-6/h1-3H,4-5H2,(H,8,9)
InChIKey
BMFMTNROJASFBW-UHFFFAOYSA-N
Synonyms
2-((Furan-2-ylmethyl)sulfinyl)acetic acid Acetic acid, [(2-furanylmethyl)sulfinyl]- 2-(furan-2-ylmethylsulfinyl)acetic acid MFCD08460225 2-[(furan-2-yl)methanesulfinyl]acetic acid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.06
TPSA
67.51

LogP / Solubility

WLOGP
0.61
MLOGP
0.54
XLogP3
-0.2
Consensus LogP
0.32
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
Class (SILICOS-IT)
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)
-3.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us