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CAS 17087-84-2 2,3:5,6-DI-O-ISOPROPYLIDENE-A-D-MANNO-FU RANOSYL CHLORIDE molecular structure lightbox
CAS RN: 17087-84-2

2,3:5,6-DI-O-ISOPROPYLIDENE-A-D-MANNO-FU RANOSYL CHLORIDE

  • Product code: SSC-075261
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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: 2
  • 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 17087-84-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

17087-84-2 / (3aS,4R,6R,6aS)-4-chloro-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

Standard CAS: 17087-84-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17087-84-2
Multi CAS
No
Molecular Formula
C12H19ClO5
Molecular Weight
278.730000
Exact Mass
278.092101
SMILES
CC1(OC[C@@H](O1)[C@@H]2[C@H]3[C@@H]([C@H](O2)Cl)OC(O3)(C)C)C
InChI
InChI=1S/C12H19ClO5/c1-11(2)14-5-6(16-11)7-8-9(10(13)15-7)18-12(3,4)17-8/h6-10H,5H2,1-4H3/t6-,7-,8+,9+,10+/m1/s1
InChIKey
CVRZEBFHLBJQLI-ZJDVBMNYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
63.24
TPSA
46.15

LogP / Solubility

WLOGP
1.62
MLOGP
1.44
XLogP3
1.3
Consensus LogP
1.45
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.94
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4

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

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