[email protected]
CAS 176-35-2 1,4-DIOXA-7-THIASPIRO[4.4]NONANE molecular structure lightbox
CAS RN: 176-35-2

1,4-DIOXA-7-THIASPIRO[4.4]NONANE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260622 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS176-35-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

176-35-2 / 1,4-dioxa-7-thiaspiro[4.4]nonane

Standard CAS: 176-35-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
176-35-2
Multi CAS
No
Molecular Formula
C6H10O2S
Molecular Weight
146.210000
Exact Mass
146.040151
SMILES
C1CSCC12OCCO2
InChI
InChI=1S/C6H10O2S/c1-4-9-5-6(1)7-2-3-8-6/h1-5H2
InChIKey
RQALKBLYTUKBFV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
3
Molar refractivity
36.58
TPSA
18.46

LogP / Solubility

WLOGP
0.87
MLOGP
0.76
XLogP3
0.5
Consensus LogP
0.71
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
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

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us