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CAS 361441-96-5 (alphaS)-alpha-[[(1R)-2-Hydroxy-1-phenylethyl]aMino]-tricyclo[3.3.1.1(3,7)]decane-1-acetic acid hydrochloride molecular structure lightbox
CAS RN: 361441-96-5

(alphaS)-alpha-[[(1R)-2-Hydroxy-1-phenylethyl]aMino]-tricyclo[3.3.1.1(3,7)]decane-1-acetic acid hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250921 5g In stock Shanghai Inquiry
  • Product code: SSC-143282
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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: 10g
  • 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 361441-96-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

361441-96-5 / (2S)-2-(1-adamantyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetic acid;hydrochloride

Standard CAS: 361441-96-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
361441-96-5
Multi CAS
Yes
Molecular Formula
C20H28CLNO3
Molecular Weight
365.900000
Exact Mass
365.175771
InChI
InChI=1S/C20H27NO3.ClH/c22-12-17(16-4-2-1-3-5-16)21-18(19(23)24)20-9-13-6-14(10-20)8-15(7-13)11-20;/h1-5,13-15,17-18,21-22H,6-12H2,(H,23,24);1H/t13?,14?,15?,17-,18+,20?;/m0./s1
InChIKey
YXFJXPVSWHATJI-HYQGWMGQSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
98.68
TPSA
69.56

LogP / Solubility

WLOGP
3.4
MLOGP
3.01
XLogP3
3.4
Consensus LogP
3.27
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8.5

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