[email protected]
CAS 61727-34-2 5-PYRIMIDINEACETIC ACID, 4-CHLORO-2-(METHYLTHIO)-, ETHYL ESTER molecular structure lightbox
CAS RN: 61727-34-2

5-PYRIMIDINEACETIC ACID, 4-CHLORO-2-(METHYLTHIO)-, ETHYL ESTER

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250115 1g In stock Inquiry
Batchno.20260528 250mg In stock Inquiry
Batchno.20260227 25g In stock Inquiry
Batchno.20260127 5g In stock Inquiry
  • Product code: SSC-170680
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: 0.25g, 1g, 5g, 10g
  • 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 61727-34-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry
10g >95% 0 Out of Stock Beijing Inquiry

61727-34-2 / ethyl 2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)acetate

Standard CAS: 61727-34-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61727-34-2
Multi CAS
Yes
Molecular Formula
C9H11CLN2O2S
Molecular Weight
246.710000
Exact Mass
246.022977
InChI
InChI=1S/C9H11ClN2O2S/c1-3-14-7(13)4-6-5-11-9(15-2)12-8(6)10/h5H,3-4H2,1-2H3
InChIKey
NJCDAOMVXVONIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
59.16
TPSA
52.08

LogP / Solubility

WLOGP
1.96
MLOGP
1.73
XLogP3
2.2
Consensus LogP
1.96
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly 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)
-2.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us