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CAS 613245-91-3 N-(FMOC-8-AMINO-3,6-DIOXA-OCTYL)-SUCCINAMIC ACID molecular structure lightbox
CAS RN: 613245-91-3

N-(FMOC-8-AMINO-3,6-DIOXA-OCTYL)-SUCCINAMIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260606 250mg / 500mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-170163
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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 613245-91-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

613245-91-3 / 4-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid

Standard CAS: 613245-91-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
613245-91-3
Multi CAS
Yes
Molecular Formula
C25H30N2O7
Molecular Weight
470.500000
Exact Mass
470.205301
InChI
InChI=1S/C25H30N2O7/c28-23(9-10-24(29)30)26-11-13-32-15-16-33-14-12-27-25(31)34-17-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,22H,9-17H2,(H,26,28)(H,27,31)(H,29,30)
InChIKey
OVPIGBISTJOKKI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
14
H-bond acceptors
6
H-bond donors
3
Molar refractivity
124.59
TPSA
123.19

LogP / Solubility

WLOGP
2.54
MLOGP
2.27
XLogP3
1.5
Consensus LogP
2.1
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.51
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)
-3.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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