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CAS 105107-84-4 cis-4-Phenylthio-L-proline hydrochloride molecular structure lightbox
CAS RN: 105107-84-4

cis-4-Phenylthio-L-proline hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260217 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-006852
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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 105107-84-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

105107-84-4 / (2S,4S)-4-phenylsulfanylpyrrolidine-2-carboxylic acid;hydrochloride

Cis-4-Phenylthio-L-proline hydrochloride | (4S)-4-(Phenylthio)-L-proline Hydrochloride | MFCD11109939

Standard CAS: 105107-84-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105107-84-4
Multi CAS
Yes
Molecular Formula
C11H14ClNO2S
Molecular Weight
259.750000
Exact Mass
259.043378
SMILES
C1[C@@H](CN[C@@H]1C(=O)O)SC2=CC=CC=C2.Cl
InChI
InChI=1S/C11H13NO2S.ClH/c13-11(14)10-6-9(7-12-10)15-8-4-2-1-3-5-8;/h1-5,9-10,12H,6-7H2,(H,13,14);1H/t9-,10-;/m0./s1
InChIKey
XXNAGGDFBCTLQA-IYPAPVHQSA-N
Synonyms
Cis-4-Phenylthio-L-proline hydrochloride (4S)-4-(Phenylthio)-L-proline Hydrochloride MFCD11109939 (2S,4S)-4-phenylsulfanylpyrrolidine-2-carboxylic acid;hydrochloride CIS-4-PHENYLTHIO-L-PROLINE HCL

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
67.38
TPSA
49.33

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
2.02
Consensus LogP
1.94
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87

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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