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CAS 187458-77-1 (R)-4-AMino-5-Methoxy-5-oxopentanoic acid hydrochloride molecular structure lightbox
CAS RN: 187458-77-1

(R)-4-AMino-5-Methoxy-5-oxopentanoic acid hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250512 50mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-087144
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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 187458-77-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

187458-77-1 / (4R)-4-amino-5-methoxy-5-oxopentanoic acid;hydrochloride

Standard CAS: 187458-77-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
187458-77-1
Multi CAS
No
Molecular Formula
C6H12ClNO4
Molecular Weight
197.620000
Exact Mass
197.045486
SMILES
COC(=O)[C@@H](CCC(=O)O)N.Cl
InChI
InChI=1S/C6H11NO4.ClH/c1-11-6(10)4(7)2-3-5(8)9;/h4H,2-3,7H2,1H3,(H,8,9);1H/t4-;/m1./s1
InChIKey
QXMRXPZMEBBMNW-PGMHMLKASA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
44.11
TPSA
89.62

LogP / Solubility

WLOGP
-0.23
MLOGP
-0.2
XLogP3
-0.23
Consensus LogP
-0.22
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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