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CAS 36983-12-7 D-P-METHYL SULFONE PHENYL ETHYL SERINATE molecular structure lightbox
CAS RN: 36983-12-7

D-P-METHYL SULFONE PHENYL ETHYL SERINATE

  • Product code: SSC-144286
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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: 500g
  • 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 36983-12-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Shenzhen Inquiry

36983-12-7 / ethyl (2R,3S)-2-amino-3-hydroxy-3-(4-methylsulfonylphenyl)propanoate

Standard CAS: 36983-12-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36983-12-7
Multi CAS
Yes
Molecular Formula
C12H17NO5S
Molecular Weight
287.330000
Exact Mass
287.082744
InChI
InChI=1S/C12H17NO5S/c1-3-18-12(15)10(13)11(14)8-4-6-9(7-5-8)19(2,16)17/h4-7,10-11,14H,3,13H2,1-2H3/t10-,11+/m1/s1
InChIKey
CEEHCOWSYFANRT-MNOVXSKESA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
69.12
TPSA
106.69

LogP / Solubility

WLOGP
0.01
MLOGP
0.02
XLogP3
-0.3
Consensus LogP
-0.09
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-4.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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