[email protected]
CAS 81189-61-9 N-tert-Butyloxycarbonyl-O-(2-bromobenzyloxycarbonyl)-D-tyrosine molecular structure lightbox
CAS RN: 81189-61-9

N-tert-Butyloxycarbonyl-O-(2-bromobenzyloxycarbonyl)-D-tyrosine

Product Availability

Choose a grade to view its available package options.

7 package records4 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251004 1g In stock Inquiry
Batchno.20250317 250mg In stock Inquiry
Batchno.20250330 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260405 1g / 5g / 25g Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250402 1g Out of stock Inquiry
Batchno.20251128 25g Out of stock Inquiry
Batchno.20250717 5g In stock Tianjin Inquiry
  • Product code: SSC-189738
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: 5g
  • Available purity: ＞97%
  • 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 81189-61-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

81189-61-9 / (2R)-3-[4-[(2-bromophenyl)methoxycarbonyloxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 81189-61-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81189-61-9
Multi CAS
Yes
Molecular Formula
BC22H24O7Rn
Molecular Weight
494.300000
Exact Mass
493.073610
InChI
InChI=1S/C22H24BrNO7/c1-22(2,3)31-20(27)24-18(19(25)26)12-14-8-10-16(11-9-14)30-21(28)29-13-15-6-4-5-7-17(15)23/h4-11,18H,12-13H2,1-3H3,(H,24,27)(H,25,26)/t18-/m1/s1
InChIKey
UYWMYJQSTUVRHR-GOSISDBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
115.89
TPSA
111.16

LogP / Solubility

WLOGP
4.69
MLOGP
4.16
XLogP3
4.9
Consensus LogP
4.58
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us