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CAS 848691-83-8 (2S)-2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]-4-methylpentanoic acid molecular structure lightbox
CAS RN: 848691-83-8

(2S)-2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]-4-methylpentanoic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260410 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-192577
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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 848691-83-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

848691-83-8 / (2S)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-4-methylpentanoic acid

Standard CAS: 848691-83-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
848691-83-8
Multi CAS
Yes
Molecular Formula
C24H28N2O5
Molecular Weight
424.500000
Exact Mass
424.199822
InChI
InChI=1S/C24H28N2O5/c1-15(2)13-21(23(28)29)26-22(27)11-12-25-24(30)31-14-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,15,20-21H,11-14H2,1-2H3,(H,25,30)(H,26,27)(H,28,29)/t21-/m0/s1
InChIKey
LCPNEWLOVJOKPN-NRFANRHFSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
3
Molar refractivity
116.71
TPSA
104.73

LogP / Solubility

WLOGP
3.53
MLOGP
3.13
XLogP3
3.6
Consensus LogP
3.42
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.43
Class (SILICOS-IT)
Insoluble

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)
-2.8

Drug-likeness / Medicinal Chemistry

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

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