[email protected]
CAS 70757-61-8 [4-(1-METHYL-1-PHENYLETHYL)PHENOXY]ACETIC ACID molecular structure lightbox
CAS RN: 70757-61-8

[4-(1-METHYL-1-PHENYLETHYL)PHENOXY]ACETIC ACID

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250225 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260701 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260131 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20260330 5g In stock Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: starshine_CAS70757-61-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

70757-61-8 / 2-[4-(2-phenylpropan-2-yl)phenoxy]acetic acid

Standard CAS: 70757-61-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70757-61-8
Multi CAS
Yes
Molecular Formula
C17H18O3
Molecular Weight
270.320000
Exact Mass
270.125594
InChI
InChI=1S/C17H18O3/c1-17(2,13-6-4-3-5-7-13)14-8-10-15(11-9-14)20-12-16(18)19/h3-11H,12H2,1-2H3,(H,18,19)
InChIKey
FHCJMUZSWRNFNA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
78.14
TPSA
46.53

LogP / Solubility

WLOGP
3.48
MLOGP
3.07
XLogP3
4.3
Consensus LogP
3.62
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
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)
-1.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us