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CAS 894790-18-2 Methyl 2-(Cbz-aMino)-2-(tetrahydrothiopyran-4-ylidene)acetate molecular structure lightbox
CAS RN: 894790-18-2

Methyl 2-(Cbz-aMino)-2-(tetrahydrothiopyran-4-ylidene)acetate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260306 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-201444
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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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 894790-18-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Beijing Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry

894790-18-2 / methyl 2-(phenylmethoxycarbonylamino)-2-(thian-4-ylidene)acetate

Standard CAS: 894790-18-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
894790-18-2
Multi CAS
Yes
Molecular Formula
C16H19NO4S
Molecular Weight
321.400000
Exact Mass
321.103479
InChI
InChI=1S/C16H19NO4S/c1-20-15(18)14(13-7-9-22-10-8-13)17-16(19)21-11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,17,19)
InChIKey
YTJNMAGKBOYCKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
85.36
TPSA
64.63

LogP / Solubility

WLOGP
2.87
MLOGP
2.54
XLogP3
2.4
Consensus LogP
2.6
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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