[email protected]
CAS 10060-33-0 DIMETHYL 1,8-NAPHTHALENEDICARBOXYLATE molecular structure lightbox
CAS RN: 10060-33-0

DIMETHYL 1,8-NAPHTHALENEDICARBOXYLATE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260616 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS10060-33-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

10060-33-0 / dimethyl naphthalene-1,8-dicarboxylate

Dimethyl naphthalene-1,8-dicarboxylate | DIMETHYL 1,8-NAPHTHALENEDICARBOXYLATE | dimethyl naphthalate

Standard CAS: 10060-33-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10060-33-0
Multi CAS
No
Molecular Formula
C14H12O4
Molecular Weight
244.240000
Exact Mass
244.073559
SMILES
COC(=O)C1=CC=CC2=C1C(=CC=C2)C(=O)OC
InChI
InChI=1S/C14H12O4/c1-17-13(15)10-7-3-5-9-6-4-8-11(12(9)10)14(16)18-2/h3-8H,1-2H3
InChIKey
OVPXRLUTUWRYEY-UHFFFAOYSA-N
Synonyms
Dimethyl naphthalene-1,8-dicarboxylate DIMETHYL 1,8-NAPHTHALENEDICARBOXYLATE dimethyl naphthalate SCHEMBL68712 1,8-Naphthalenedicarboxylicacid, 1,8-dimethyl ester

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
66.63
TPSA
52.6

LogP / Solubility

WLOGP
2.41
MLOGP
2.13
XLogP3
2.6
Consensus LogP
2.38
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly 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)
-2.5

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us