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CAS 101568-03-0 3-(methoxycarbonyl)hexanedioic acid molecular structure lightbox
CAS RN: 101568-03-0

3-(methoxycarbonyl)hexanedioic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260201 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-002389
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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: 1g, 0.1g, 0.25g, 5g
  • 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 101568-03-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Shenzhen Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

101568-03-0 / 3-methoxycarbonylhexanedioic acid

3-(methoxycarbonyl)hexanedioic acid | MFCD24480287 | 3-methoxycarbonylhexanedioic acid

Standard CAS: 101568-03-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
101568-03-0
Multi CAS
No
Molecular Formula
C8H12O6
Molecular Weight
204.180000
Exact Mass
204.063388
SMILES
COC(=O)C(CCC(=O)O)CC(=O)O
InChI
InChI=1S/C8H12O6/c1-14-8(13)5(4-7(11)12)2-3-6(9)10/h5H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKey
HYRSKZDJMIQHQI-UHFFFAOYSA-N
Synonyms
3-(methoxycarbonyl)hexanedioic acid MFCD24480287 3-methoxycarbonylhexanedioic acid 3-(methoxycarbonyl)hexanedioicacid SY281068

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.62
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
44.63
TPSA
100.9

LogP / Solubility

WLOGP
0.12
MLOGP
0.1
XLogP3
-0.6
Consensus LogP
-0.13
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
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)
-3.88

Drug-likeness / Medicinal Chemistry

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

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