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CAS 186046-83-3 Fmoc-PNA-G(Bhoc)-OH molecular structure lightbox
CAS RN: 186046-83-3

Fmoc-PNA-G(Bhoc)-OH

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260615 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250502 100mg In stock Shanghai Inquiry
Batchno.20250425 10g In stock Shanghai Inquiry
Batchno.20251017 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250723 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260611 5g In stock Shanghai Inquiry
  • Product code: SSC-086204
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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 186046-83-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

186046-83-3 / 2-[[2-[2-(benzhydryloxycarbonylamino)-6-oxo-1H-purin-9-yl]acetyl]-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]amino]acetic acid

Standard CAS: 186046-83-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
186046-83-3
Multi CAS
No
Molecular Formula
C40H35N7O8
Molecular Weight
741.700000
Exact Mass
741.254711
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)NC3=NC4=C(C(=O)N3)N=CN4CC(=O)N(CCNC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57)CC(=O)O
InChI
InChI=1S/C40H35N7O8/c48-32(46(22-33(49)50)20-19-41-39(52)54-23-31-29-17-9-7-15-27(29)28-16-8-10-18-30(28)31)21-47-24-42-34-36(47)43-38(44-37(34)51)45-40(53)55-35(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-18,24,31,35H,19-23H2,(H,41,52)(H,49,50)(H2,43,44,45,51,53)
InChIKey
ZNHVLNAONKUINW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
55
Aromatic heavy atom count
33
Fraction Csp3
0.17
Rotatable bonds
13
H-bond acceptors
10
H-bond donors
4
Molar refractivity
200.27
TPSA
197.84

LogP / Solubility

WLOGP
4.91
MLOGP
4.39
XLogP3
4.7
Consensus LogP
4.67
Log S (ESOL)
-7.12
Class (ESOL)
Insoluble
Log S (Ali)
-9.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.12
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-3.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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