[email protected]
CAS 18512-30-6 naphthalene-1,3,6,8-tetrol molecular structure lightbox
CAS RN: 18512-30-6

naphthalene-1,3,6,8-tetrol

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260405 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS18512-30-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

18512-30-6 / naphthalene-1,3,6,8-tetrol

Standard CAS: 18512-30-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18512-30-6
Multi CAS
No
Molecular Formula
C10H8O4
Molecular Weight
192.170000
Exact Mass
192.042259
SMILES
C1=C2C=C(C=C(C2=C(C=C1O)O)O)O
InChI
InChI=1S/C10H8O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1-4,11-14H
InChIKey
BCMKHWMDTMUUSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
4
H-bond donors
4
Molar refractivity
50.61
TPSA
80.92

LogP / Solubility

WLOGP
1.66
MLOGP
1.46
XLogP3
2.3
Consensus LogP
1.81
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us