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CAS 185031-78-1 FMOC-L-ASN(XAN)-OH molecular structure lightbox
CAS RN: 185031-78-1

FMOC-L-ASN(XAN)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250322 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-085587
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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 185031-78-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

185031-78-1 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(9H-xanthen-9-ylamino)butanoic acid

Standard CAS: 185031-78-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
185031-78-1
Multi CAS
No
Molecular Formula
C32H26N2O6
Molecular Weight
534.600000
Exact Mass
534.179087
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC(=O)NC4C5=CC=CC=C5OC6=CC=CC=C46)C(=O)O
InChI
InChI=1S/C32H26N2O6/c35-29(34-30-23-13-5-7-15-27(23)40-28-16-8-6-14-24(28)30)17-26(31(36)37)33-32(38)39-18-25-21-11-3-1-9-19(21)20-10-2-4-12-22(20)25/h1-16,25-26,30H,17-18H2,(H,33,38)(H,34,35)(H,36,37)/t26-/m0/s1
InChIKey
BHSJDYJRHPNVAM-SANMLTNESA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.16
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
147.19
TPSA
113.96

LogP / Solubility

WLOGP
5.38
MLOGP
4.77
XLogP3
4.7
Consensus LogP
4.95
Log S (ESOL)
-6.53
Class (ESOL)
Insoluble
Log S (Ali)
-7.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.44
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)
-2.16

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
6

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