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CAS 1841134-72-2 – molecular structure lightbox
CAS RN: 1841134-72-2

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251208 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-085173
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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: 0.25g
  • 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 1841134-72-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Shenzhen Inquiry

1841134-72-2 / [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate

Standard CAS: 1841134-72-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1841134-72-2
Multi CAS
No
Molecular Formula
C19H32N2O5
Molecular Weight
368.500000
Exact Mass
368.231122
SMILES
C1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCOCCN)CCC#C1
InChI
InChI=1S/C19H32N2O5/c20-7-9-23-11-13-25-14-12-24-10-8-21-19(22)26-15-18-16-5-3-1-2-4-6-17(16)18/h16-18H,3-15,20H2,(H,21,22)/t16-,17+,18?
InChIKey
WICZFPOMYSGZNG-JWTNVVGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.84
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
2
Molar refractivity
97.58
TPSA
92.04

LogP / Solubility

WLOGP
1.16
MLOGP
1.04
XLogP3
0.9
Consensus LogP
1.03
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.14

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
3.5

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