[email protected]
CAS 200395-72-8 Fmoc-D-Cys(Trt)- OPfp molecular structure lightbox
CAS RN: 200395-72-8

Fmoc-D-Cys(Trt)- OPfp

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251103 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS200395-72-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

200395-72-8 / (2,3,4,5,6-pentafluorophenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanylpropanoate

Standard CAS: 200395-72-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
200395-72-8
Multi CAS
No
Molecular Formula
C43H30F5NO4S
Molecular Weight
751.800000
Exact Mass
751.181570
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@H](C(=O)OC4=C(C(=C(C(=C4F)F)F)F)F)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
InChI
InChI=1S/C43H30F5NO4S/c44-35-36(45)38(47)40(39(48)37(35)46)53-41(50)34(49-42(51)52-24-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33)25-54-43(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-23,33-34H,24-25H2,(H,49,51)/t34-/m1/s1
InChIKey
FDAUCYDVXIPBDR-UUWRZZSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
36
Fraction Csp3
0.12
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
1
Molar refractivity
195.53
TPSA
64.63

LogP / Solubility

WLOGP
9.92
MLOGP
8.8
XLogP3
10.4
Consensus LogP
9.71
Log S (ESOL)
-10.52
Class (ESOL)
Insoluble
Log S (Ali)
-12.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.26

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

Customers Also Viewed

Get In Touch

Contact Us