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CAS 651324-08-2 (3R,4R,5S)-4-N-Acetyl(1,1-dimethylethyl)amino-5-N,N-diallylamino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid ethyl ester monohydrochloride molecular structure lightbox
CAS RN: 651324-08-2

(3R,4R,5S)-4-N-Acetyl(1,1-dimethylethyl)amino-5-N,N-diallylamino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid ethyl ester monohydrochloride

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260313 1g In stock Shanghai Inquiry
Batchno.20250131 25g In stock Shanghai Inquiry
Batchno.20250811 5g In stock Shanghai Inquiry
  • Product code: SSC-174790
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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: 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 651324-08-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

651324-08-2 / ethyl (3R,4R,5S)-4-[acetyl(tert-butyl)amino]-5-[bis(prop-2-enyl)amino]-3-pentan-3-yloxycyclohexene-1-carboxylate;hydrochloride

Standard CAS: 651324-08-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
651324-08-2
Multi CAS
Yes
Molecular Formula
C26H45CLN2O4
Molecular Weight
485.100000
Exact Mass
484.306786
InChI
InChI=1S/C26H44N2O4.ClH/c1-10-15-27(16-11-2)22-17-20(25(30)31-14-5)18-23(32-21(12-3)13-4)24(22)28(19(6)29)26(7,8)9;/h10-11,18,21-24H,1-2,12-17H2,3-9H3;1H/t22-,23+,24+;/m0./s1
InChIKey
PUBKCMTVXFIUCX-BAUONJEJSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.69
Rotatable bonds
12
H-bond acceptors
5
H-bond donors
1
Molar refractivity
137.64
TPSA
59.08

LogP / Solubility

WLOGP
4.93
MLOGP
4.38
XLogP3
4.93
Consensus LogP
4.75
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.35
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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