[email protected]
CAS 38339-06-9 Homovanillic Acid Sulfate molecular structure lightbox
CAS RN: 38339-06-9

Homovanillic Acid Sulfate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250109 5mg Out of stock Inquiry
  • Product code: starshine_CAS38339-06-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

38339-06-9 / 2-(3-methoxy-4-sulfooxyphenyl)acetic acid

Standard CAS: 38339-06-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
38339-06-9
Multi CAS
Yes
Molecular Formula
C9H10O7S
Molecular Weight
262.240000
Exact Mass
262.014724
InChI
InChI=1S/C9H10O7S/c1-15-8-4-6(5-9(10)11)2-3-7(8)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14)
InChIKey
IACOAKYXFIWAQN-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
56.51
TPSA
110.13

LogP / Solubility

WLOGP
0.5
MLOGP
0.45
Consensus LogP
0.32
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately 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)
-3.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us