CAS 1779788-81-6 4,4-difluoropyrrolidine-3-carboxylic acid hydrochloride(WXFC0858S1) molecular structure

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CAS RN: 1779788-81-6

4,4-difluoropyrrolidine-3-carboxylic acid hydrochloride(WXFC0858S1)

Product code: SSC-077874

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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
Available purity: >95%
Inventory rows with stock: 3
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 1779788-81-6
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	>95%	1 In Stock	Shenzhen	Inquiry
0.25g	>95%	1 In Stock	Shenzhen	Inquiry
1g	>95%	1 In Stock	Shenzhen	Inquiry

1779788-81-6 / 4,4-difluoropyrrolidine-3-carboxylic acid;hydrochloride

Standard CAS: 1779788-81-6 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

1779788-81-6

Multi CAS

Molecular Formula

C5H8ClF2NO2

Molecular Weight

187.570000

Exact Mass

187.021163

SMILES

C1C(C(CN1)(F)F)C(=O)O.Cl

InChI

InChI=1S/C5H7F2NO2.ClH/c6-5(7)2-8-1-3(5)4(9)10;/h3,8H,1-2H2,(H,9,10);1H

InChIKey

XSSUBTKTJGVHAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.8

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

36.19

TPSA

49.33

LogP / Solubility

WLOGP

0.35

MLOGP

0.3

XLogP3

0.35

Consensus LogP

0.33

Log S (ESOL)

-1.16

Class (ESOL)

Soluble

Log S (Ali)

-1.35

Class (Ali)

Soluble

Log S (SILICOS-IT)

-1.29

Class (SILICOS-IT)

Soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-3.62

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statement Codes

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Applications of CAS 1779788-81-6

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1779788-81-6 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.