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CAS 1810070-27-9 oxalic acid bis(ethyl 2-(2-methylpiperidin-4-yl)acetate) molecular structure lightbox
CAS RN: 1810070-27-9

oxalic acid bis(ethyl 2-(2-methylpiperidin-4-yl)acetate)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251030 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-082319
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1810070-27-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1810070-27-9 / bis(ethyl 2-(2-methylpiperidin-4-yl)acetate);oxalic acid

Standard CAS: 1810070-27-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1810070-27-9
Multi CAS
No
Molecular Formula
C22H40N2O8
Molecular Weight
460.600000
Exact Mass
460.278466
SMILES
CCOC(=O)CC1CCNC(C1)C.CCOC(=O)CC1CCNC(C1)C.C(=O)(C(=O)O)O
InChI
InChI=1S/2C10H19NO2.C2H2O4/c2*1-3-13-10(12)7-9-4-5-11-8(2)6-9;3-1(4)2(5)6/h2*8-9,11H,3-7H2,1-2H3;(H,3,4)(H,5,6)
InChIKey
PPKNVNUXAJEESH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.82
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
4
Molar refractivity
118.15
TPSA
151.26

LogP / Solubility

WLOGP
1.81
MLOGP
1.62
XLogP3
1.81
Consensus LogP
1.75
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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