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CAS 1036847-90-1 4-((2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)-N-(prop-2-yn-1-yl)cyclohexanecarboxamide molecular structure lightbox
CAS RN: 1036847-90-1

4-((2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)-N-(prop-2-yn-1-yl)cyclohexanecarboxamide

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250308 100mg In stock Shanghai Inquiry
Batchno.20250621 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250403 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260126 25g In stock Shanghai Inquiry
Batchno.20250522 5g In stock Shanghai, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260113 50mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-005273
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1036847-90-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 2 In Stock Hong Kong Inquiry
1g -- 1 In Stock Beijing Inquiry
0.1g -- 0 Out of Stock Shanghai Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry
0.25g -- 0 Out of Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry
5g -- 0 Out of Stock Beijing Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

1036847-90-1 / 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide

4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide | 4-((2,5-dioxopyrrol-1-yl)methyl)-N-prop-2-ynylcyclohexane-1-carboxamide | RefChem:508909

Standard CAS: 1036847-90-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1036847-90-1
Multi CAS
No
Molecular Formula
C15H18N2O3
Molecular Weight
274.310000
Exact Mass
274.131742
SMILES
C#CCNC(=O)C1CCC(CC1)CN2C(=O)C=CC2=O
InChI
InChI=1S/C15H18N2O3/c1-2-9-16-15(20)12-5-3-11(4-6-12)10-17-13(18)7-8-14(17)19/h1,7-8,11-12H,3-6,9-10H2,(H,16,20)
InChIKey
RAFMOXYVCNOXTP-UHFFFAOYSA-N
Synonyms
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide 4-((2,5-dioxopyrrol-1-yl)methyl)-N-prop-2-ynylcyclohexane-1-carboxamide RefChem:508909 893-801-7 4-((2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)-N-(prop-2-yn-1-yl)cyclohexanecarboxamide

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.15
TPSA
66.48

LogP / Solubility

WLOGP
0.47
MLOGP
0.42
XLogP3
0.3
Consensus LogP
0.4
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-4.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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