[email protected]
CAS 146004-98-0 16-(Benzyloxy)-16-Oxohexadecanoic Acid molecular structure lightbox
CAS RN: 146004-98-0

16-(Benzyloxy)-16-Oxohexadecanoic Acid

  • Product code: SSC-057163
GET A QUOTE
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: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 146004-98-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

146004-98-0 / 16-oxo-16-phenylmethoxyhexadecanoic acid

Standard CAS: 146004-98-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
146004-98-0
Multi CAS
No
Molecular Formula
C23H36O4
Molecular Weight
376.500000
Exact Mass
376.261360
SMILES
C1=CC=C(C=C1)COC(=O)CCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C23H36O4/c24-22(25)18-14-9-7-5-3-1-2-4-6-8-10-15-19-23(26)27-20-21-16-12-11-13-17-21/h11-13,16-17H,1-10,14-15,18-20H2,(H,24,25)
InChIKey
RKIWVFNLOSNCET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
17
H-bond acceptors
3
H-bond donors
1
Molar refractivity
108.51
TPSA
63.6

LogP / Solubility

WLOGP
6.28
MLOGP
5.54
XLogP3
7.2
Consensus LogP
6.34
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.36
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us