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CAS 1499681-44-5 4-(4-Hydroxybenzyl)tetrahydropyran-4-carboxylic Acid molecular structure lightbox
CAS RN: 1499681-44-5

4-(4-Hydroxybenzyl)tetrahydropyran-4-carboxylic Acid

  • Product code: SSC-059918
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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, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 1499681-44-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry

1499681-44-5 / 4-[(4-hydroxyphenyl)methyl]oxane-4-carboxylic acid

Standard CAS: 1499681-44-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1499681-44-5
Multi CAS
No
Molecular Formula
C13H16O4
Molecular Weight
236.260000
Exact Mass
236.104859
SMILES
C1COCCC1(CC2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C13H16O4/c14-11-3-1-10(2-4-11)9-13(12(15)16)5-7-17-8-6-13/h1-4,14H,5-9H2,(H,15,16)
InChIKey
BJHYOXWSNMFGAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.93
TPSA
66.76

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.5
Consensus LogP
1.64
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
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
No
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
No
Synthetic Accessibility
1.5

Applications of CAS 1499681-44-5

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1499681-44-5 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.

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