[email protected]
CAS 1043043-79-3 (9H-Fluoren-9-yl)MethOxy]Carbonyl Tyr(2,6-Me2,4-tBu)-OH molecular structure lightbox
CAS RN: 1043043-79-3

(9H-Fluoren-9-yl)MethOxy]Carbonyl Tyr(2,6-Me2,4-tBu)-OH

  • Product code: SSC-006062
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1043043-79-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry

1043043-79-3 / (2S)-3-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxy)-2,6-dimethylphenyl)propanoic acid | Fmoc-Tyr(2,6-Me2,4-tBu)-OH | MFCD20133793

Standard CAS: 1043043-79-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1043043-79-3
Multi CAS
Yes
Molecular Formula
C30H33NO5
Molecular Weight
487.600000
Exact Mass
487.235873
SMILES
CC1=CC(=CC(=C1C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C)OC(C)(C)C
InChI
InChI=1S/C30H33NO5/c1-18-14-20(36-30(3,4)5)15-19(2)25(18)16-27(28(32)33)31-29(34)35-17-26-23-12-8-6-10-21(23)22-11-7-9-13-24(22)26/h6-15,26-27H,16-17H2,1-5H3,(H,31,34)(H,32,33)/t27-/m0/s1
InChIKey
UEEXXSRALHXGMD-MHZLTWQESA-N
Synonyms
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxy)-2,6-dimethylphenyl)propanoic acid Fmoc-Tyr(2,6-Me2,4-tBu)-OH MFCD20133793 N-Fmoc-O-tert-butyl-2,6-dimethyl-L-tyrosine O-(t-Butyl)-N-Fmoc-2,6-dimethyl-L-Tyrosine

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
139.63
TPSA
84.86

LogP / Solubility

WLOGP
6.02
MLOGP
5.33
XLogP3
6.3
Consensus LogP
5.88
Log S (ESOL)
-6.56
Class (ESOL)
Insoluble
Log S (Ali)
-7.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.66
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us