[email protected]
CAS 1217779-77-5 FMOC-D-ME(4-CL-PHE)-OH molecular structure lightbox
CAS RN: 1217779-77-5

FMOC-D-ME(4-CL-PHE)-OH

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260419 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1217779-77-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1217779-77-5 / (2R)-3-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid

Standard CAS: 1217779-77-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217779-77-5
Multi CAS
No
Molecular Formula
C25H22ClNO4
Molecular Weight
435.900000
Exact Mass
435.123736
SMILES
CN([C@H](CC1=CC=C(C=C1)Cl)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H22ClNO4/c1-27(23(24(28)29)14-16-10-12-17(26)13-11-16)25(30)31-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,28,29)/t23-/m1/s1
InChIKey
DTVJLZWXYPPOHJ-HSZRJFAPSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
119.41
TPSA
66.84

LogP / Solubility

WLOGP
5.22
MLOGP
4.62
XLogP3
5.5
Consensus LogP
5.11
Log S (ESOL)
-5.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.54
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us