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CAS 66076-38-8 N-T-BOC-PHE-TYR-DICYCLOHEXYLAMMONIUM molecular structure lightbox
CAS RN: 66076-38-8

N-T-BOC-PHE-TYR-DICYCLOHEXYLAMMONIUM

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260101 100mg / 250mg / 1g Out of stock 1 business days Inquiry
  • Product code: SSC-175718
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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: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 66076-38-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

66076-38-8 / 3-(4-hydroxyphenyl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoic acid

Standard CAS: 66076-38-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66076-38-8
Multi CAS
Yes
Molecular Formula
C23H28N2O6
Molecular Weight
428.500000
Exact Mass
428.194737
InChI
InChI=1S/C23H28N2O6/c1-23(2,3)31-22(30)25-18(13-15-7-5-4-6-8-15)20(27)24-19(21(28)29)14-16-9-11-17(26)12-10-16/h4-12,18-19,26H,13-14H2,1-3H3,(H,24,27)(H,25,30)(H,28,29)/t18-,19-/m0/s1
InChIKey
SIRXGPIISDLXFD-OALUTQOASA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
4
Molar refractivity
114.68
TPSA
124.96

LogP / Solubility

WLOGP
2.64
MLOGP
2.35
XLogP3
2.8
Consensus LogP
2.6
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.46

Drug-likeness / Medicinal Chemistry

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

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