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CAS 6836-21-1 7-Methoxy-1-naphthaleneacetic acid ethyl ester molecular structure lightbox
CAS RN: 6836-21-1

7-Methoxy-1-naphthaleneacetic acid ethyl ester

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250917 100g Out of stock Inquiry
Batchno.20260224 1g In stock Shanghai Inquiry
Batchno.20250517 1g / 5g / 10g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20250727 25g In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250110 5g In stock Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-178112
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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: 25g
  • Available purity: ＞97%
  • 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 6836-21-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

6836-21-1 / ethyl 2-(7-methoxynaphthalen-1-yl)acetate

Standard CAS: 6836-21-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6836-21-1
Multi CAS
No
Molecular Formula
C15H16O3
Molecular Weight
244.280000
Exact Mass
244.109944
InChI
InChI=1S/C15H16O3/c1-3-18-15(16)9-12-6-4-5-11-7-8-13(17-2)10-14(11)12/h4-8,10H,3,9H2,1-2H3
InChIKey
VPXDDUIYFMKQBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
70.84
TPSA
35.53

LogP / Solubility

WLOGP
2.95
MLOGP
2.6
XLogP3
3.3
Consensus LogP
2.95
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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