CAS 30131-16-9 4-(4-Phenylbutoxy)benzoic Acid molecular structure

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CAS RN: 30131-16-9

4-(4-Phenylbutoxy)benzoic Acid

Product Availability

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1 package records1 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20251008	5g / 25g / 100g / 500g	Confirm by inquiry	Shanghai, Shandong	8-10 business days	Inquiry

Product code: SSC-133820

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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: 100g
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 30131-16-9
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
100g	≥97%	0 Out of Stock	Beijing	Inquiry

30131-16-9 / 4-(4-butoxyphenyl)benzoic acid

Standard CAS: 30131-16-9 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

30131-16-9

Multi CAS

Yes

Molecular Formula

C17H18O3

Molecular Weight

270.320000

Exact Mass

270.125594

InChI

InChI=1S/C17H18O3/c1-2-3-12-20-16-10-8-14(9-11-16)13-4-6-15(7-5-13)17(18)19/h4-11H,2-3,12H2,1H3,(H,18,19)

InChIKey

CMNSCPHEWQDYHW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.24

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

79.24

TPSA

46.53

LogP / Solubility

WLOGP

4.23

MLOGP

3.73

XLogP3

5.2

Consensus LogP

4.39

Log S (ESOL)

-4.23

Class (ESOL)

Slightly soluble

Log S (Ali)

-4.83

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-5.65

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-1.37

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

4-(4-Phenylbutoxy)benzoic Acid

Product Availability

Historical Supply Reference

Reference Pack Sizes

30131-16-9 / 4-(4-butoxyphenyl)benzoic acid

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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