[email protected]
CAS 145294-89-9 5-(1-ADAMANTYLAMINO)-5-OXOPENTANOIC ACID molecular structure lightbox
CAS RN: 145294-89-9

5-(1-ADAMANTYLAMINO)-5-OXOPENTANOIC ACID

Product Availability

Choose a grade to view its available package options.

4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250916 100mg Out of stock Inquiry
Batchno.20250606 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260429 1g Out of stock Inquiry
Batchno.20250803 250mg Out of stock Inquiry
  • Product code: starshine_CAS145294-89-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

145294-89-9 / 5-(1-adamantylamino)-5-oxopentanoic acid

Standard CAS: 145294-89-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
145294-89-9
Multi CAS
No
Molecular Formula
C15H23NO3
Molecular Weight
265.350000
Exact Mass
265.167794
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)CCCC(=O)O
InChI
InChI=1S/C15H23NO3/c17-13(2-1-3-14(18)19)16-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,1-9H2,(H,16,17)(H,18,19)
InChIKey
SFJPMAGMDTYGRM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.87
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
70.53
TPSA
66.4

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
2
Consensus LogP
2.13
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6

Customers Also Viewed

Get In Touch

Contact Us