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CAS 177219-40-8 1-pentanoylamino-cyclopentane carboxylic molecular structure lightbox
CAS RN: 177219-40-8

1-pentanoylamino-cyclopentane carboxylic

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251010 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-077485
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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 177219-40-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

177219-40-8 / 1-(pentanoylamino)cyclopentane-1-carboxamide

Standard CAS: 177219-40-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
177219-40-8
Multi CAS
No
Molecular Formula
C11H20N2O2
Molecular Weight
212.290000
Exact Mass
212.152478
SMILES
CCCCC(=O)NC1(CCCC1)C(=O)N
InChI
InChI=1S/C11H20N2O2/c1-2-3-6-9(14)13-11(10(12)15)7-4-5-8-11/h2-8H2,1H3,(H2,12,15)(H,13,14)
InChIKey
KYQOPOVIDARNBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.06
TPSA
72.19

LogP / Solubility

WLOGP
1.09
MLOGP
0.96
XLogP3
0.9
Consensus LogP
0.98
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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