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CAS 110771-95-4 TOS-D-PRO-OH molecular structure lightbox
CAS RN: 110771-95-4

TOS-D-PRO-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250629 1g / 5g Out of stock 15 business days Inquiry
  • Product code: SSC-011744
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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: 1g
  • 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 110771-95-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

110771-95-4 / (2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid

TOSYL-D-PROLINE | (2R)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid | DTXSID60332192

Standard CAS: 110771-95-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
110771-95-4
Multi CAS
Yes
Molecular Formula
C12H15NO4S
Molecular Weight
269.320000
Exact Mass
269.072179
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H]2C(=O)O
InChI
InChI=1S/C12H15NO4S/c1-9-4-6-10(7-5-9)18(16,17)13-8-2-3-11(13)12(14)15/h4-7,11H,2-3,8H2,1H3,(H,14,15)/t11-/m1/s1
InChIKey
CGPHGPCHVUSFFA-LLVKDONJSA-N
Synonyms
TOSYL-D-PROLINE (2R)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid DTXSID60332192 RefChem:190483 DTXCID10283286

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.73
TPSA
74.68

LogP / Solubility

WLOGP
1.23
MLOGP
1.09
XLogP3
1.6
Consensus LogP
1.31
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49

Drug-likeness / Medicinal Chemistry

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

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