[email protected]
CAS 53798-97-3 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2-dimethyl ester molecular structure lightbox
CAS RN: 53798-97-3

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2-dimethyl ester

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250414 100mg In stock Shanghai Inquiry
  • Product code: SSC-161183
GET A QUOTE
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
Request Bulk Quote

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 53798-97-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

53798-97-3 / 3-hydroxy-5-methoxy-3-methoxycarbonyl-5-oxopentanoic acid

Standard CAS: 53798-97-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53798-97-3
Multi CAS
Yes
Molecular Formula
C8H12O7
Molecular Weight
220.180000
Exact Mass
220.058303
InChI
InChI=1S/C8H12O7/c1-14-6(11)4-8(13,3-5(9)10)7(12)15-2/h13H,3-4H2,1-2H3,(H,9,10)
InChIKey
OMIHCBSQSYMFDP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
45.85
TPSA
110.13

LogP / Solubility

WLOGP
-1.07
MLOGP
-0.94
XLogP3
-1.4
Consensus LogP
-1.14
Log S (ESOL)
-0.2
Class (ESOL)
Very soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.82

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us