[email protected]
CAS 68973-36-4 Z-LYS-OBZL BENZENESULFONATE molecular structure lightbox
CAS RN: 68973-36-4

Z-LYS-OBZL BENZENESULFONATE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260416 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS68973-36-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

68973-36-4 / benzenesulfonic acid;benzyl 6-amino-2-(phenylmethoxycarbonylamino)hexanoate

Standard CAS: 68973-36-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68973-36-4
Multi CAS
Yes
Molecular Formula
C27H32N2O7S
Molecular Weight
528.600000
Exact Mass
528.193023
InChI
InChI=1S/C21H26N2O4.C6H6O3S/c22-14-8-7-13-19(20(24)26-15-17-9-3-1-4-10-17)23-21(25)27-16-18-11-5-2-6-12-18;7-10(8,9)6-4-2-1-3-5-6/h1-6,9-12,19H,7-8,13-16,22H2,(H,23,25);1-5H,(H,7,8,9)/t19-;/m0./s1
InChIKey
ZYQPTGXDPNAHSO-FYZYNONXSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
3
Molar refractivity
138.95
TPSA
145.02

LogP / Solubility

WLOGP
4.09
MLOGP
3.64
XLogP3
4.09
Consensus LogP
3.94
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.81
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

Customers Also Viewed

Get In Touch

Contact Us