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CAS 265321-40-2 (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[4-({[(prop-2-en-1-yloxy)carbonyl]amino}methyl)phenyl]propanoic acid molecular structure lightbox
CAS RN: 265321-40-2

(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[4-({[(prop-2-en-1-yloxy)carbonyl]amino}methyl)phenyl]propanoic acid

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251011 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-124482
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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: ≥97%
  • 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 265321-40-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

265321-40-2 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(prop-2-enoxycarbonylamino)methyl]phenyl]propanoic acid

Standard CAS: 265321-40-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
265321-40-2
Multi CAS
Yes
Molecular Formula
C29H28N2O6
Molecular Weight
500.500000
Exact Mass
500.194737
InChI
InChI=1S/C29H28N2O6/c1-2-15-36-28(34)30-17-20-13-11-19(12-14-20)16-26(27(32)33)31-29(35)37-18-25-23-9-5-3-7-21(23)22-8-4-6-10-24(22)25/h2-14,25-26H,1,15-18H2,(H,30,34)(H,31,35)(H,32,33)/t26-/m0/s1
InChIKey
ILPBWYRVJNBXSE-SANMLTNESA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
3
Molar refractivity
138.16
TPSA
113.96

LogP / Solubility

WLOGP
4.63
MLOGP
4.11
XLogP3
4.8
Consensus LogP
4.51
Log S (ESOL)
-5.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.96
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)
-2.48

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
5

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