[email protected]
CAS 98628-27-4 Boc-L-2-Amino-5-phenyl-pentanoic acid molecular structure lightbox
CAS RN: 98628-27-4

Boc-L-2-Amino-5-phenyl-pentanoic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260216 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS98628-27-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

98628-27-4 / (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid

Standard CAS: 98628-27-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98628-27-4
Multi CAS
Yes
Molecular Formula
C16H23NO4
Molecular Weight
293.360000
Exact Mass
293.162708
InChI
InChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17-13(14(18)19)11-7-10-12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKey
AIFKBFKJMQTYAM-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
80.17
TPSA
75.63

LogP / Solubility

WLOGP
2.99
MLOGP
2.64
XLogP3
3.2
Consensus LogP
2.94
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly 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)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us