[email protected]
CAS 3779-29-1 Diethyl 1,1-Cyclobutanedicarboxylate molecular structure lightbox
CAS RN: 3779-29-1

Diethyl 1,1-Cyclobutanedicarboxylate

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251109 5ml / 25ml / 100ml / 500ml Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-145231
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 3779-29-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Shanghai Inquiry
10g ≥98% 5 In Stock Beijing Inquiry
25g ≥98% 5 In Stock Beijing Inquiry
100g ≥98% 2 In Stock Shanghai Inquiry
500g ≥98% 0 Out of Stock Shenzhen Inquiry

3779-29-1 / diethyl cyclobutane-1,1-dicarboxylate

Standard CAS: 3779-29-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3779-29-1
Multi CAS
Yes
Molecular Formula
C10H16O4
Molecular Weight
200.230000
Exact Mass
200.104859
InChI
InChI=1S/C10H16O4/c1-3-13-8(11)10(6-5-7-10)9(12)14-4-2/h3-7H2,1-2H3
InChIKey
JPNJEJSZSMXWSV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
49.55
TPSA
52.6

LogP / Solubility

WLOGP
1.28
MLOGP
1.13
XLogP3
1.8
Consensus LogP
1.4
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-3.03

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