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CAS 610801-83-7 2-Propenoic acid, 3-[3-(chlorosulfonyl)phenyl]-, Methyl ester, (2E)- molecular structure lightbox
CAS RN: 610801-83-7

2-Propenoic acid, 3-[3-(chlorosulfonyl)phenyl]-, Methyl ester, (2E)-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251031 50mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-169850
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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: 0.25g
  • 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 610801-83-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry

610801-83-7 / methyl (E)-3-(3-chlorosulfonylphenyl)prop-2-enoate

Standard CAS: 610801-83-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
610801-83-7
Multi CAS
Yes
Molecular Formula
C10H9CLO4S
Molecular Weight
260.690000
Exact Mass
259.991008
InChI
InChI=1S/C10H9ClO4S/c1-15-10(12)6-5-8-3-2-4-9(7-8)16(11,13)14/h2-7H,1H3/b6-5+
InChIKey
IRLXDBWFFKLKOD-AATRIKPKSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
60.53
TPSA
60.44

LogP / Solubility

WLOGP
1.8
MLOGP
1.59
XLogP3
2.2
Consensus LogP
1.86
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
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)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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