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CAS 959573-13-8 Boc-3-(Fmoc-aminomethyl)-L-phenylalanine molecular structure lightbox
CAS RN: 959573-13-8

Boc-3-(Fmoc-aminomethyl)-L-phenylalanine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250201 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-211679
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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: 1g
  • 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 959573-13-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

959573-13-8 / (2S)-3-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 959573-13-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
959573-13-8
Multi CAS
Yes
Molecular Formula
C30H32N2O6
Molecular Weight
516.600000
Exact Mass
516.226037
InChI
InChI=1S/C30H32N2O6/c1-30(2,3)38-29(36)32-26(27(33)34)16-19-9-8-10-20(15-19)17-31-28(35)37-18-25-23-13-6-4-11-21(23)22-12-5-7-14-24(22)25/h4-15,25-26H,16-18H2,1-3H3,(H,31,35)(H,32,36)(H,33,34)/t26-/m0/s1
InChIKey
WPPUJXXHNINCPZ-SANMLTNESA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.3
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
3
Molar refractivity
142.85
TPSA
113.96

LogP / Solubility

WLOGP
5.25
MLOGP
4.65
XLogP3
5.1
Consensus LogP
5
Log S (ESOL)
-6.17
Class (ESOL)
Insoluble
Log S (Ali)
-7.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
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
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5

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