[email protected]
CAS 600737-82-4 O-Benzyl-N-[(benzyloxy)carbonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-L-tyrosine Benzyl Ester molecular structure lightbox
CAS RN: 600737-82-4

O-Benzyl-N-[(benzyloxy)carbonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-L-tyrosine Benzyl Ester

  • Product code: SSC-168659
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: 1g
  • 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 600737-82-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

600737-82-4 / benzyl (2S)-2-(phenylmethoxycarbonylamino)-3-[4-phenylmethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate

Standard CAS: 600737-82-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
600737-82-4
Multi CAS
No
Molecular Formula
BC37H40NO7
Molecular Weight
621.500000
Exact Mass
621.289783
InChI
InChI=1S/C37H40BNO7/c1-36(2)37(3,4)46-38(45-36)31-22-30(20-21-33(31)42-24-27-14-8-5-9-15-27)23-32(34(40)43-25-28-16-10-6-11-17-28)39-35(41)44-26-29-18-12-7-13-19-29/h5-22,32H,23-26H2,1-4H3,(H,39,41)/t32-/m0/s1
InChIKey
ZSAWIVOAGIRNAE-YTTGMZPUSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
24
Fraction Csp3
0.3
Rotatable bonds
12
H-bond acceptors
7
H-bond donors
1
Molar refractivity
176.42
TPSA
92.32

LogP / Solubility

WLOGP
6.15
MLOGP
5.46
XLogP3
6.15
Consensus LogP
5.92
Log S (ESOL)
-7.16
Class (ESOL)
Insoluble
Log S (Ali)
-9.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.24
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.15

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
5.5

Customers Also Viewed

Get In Touch

Contact Us