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CAS 5874-75-9 H-ORN(Z)-OME HCL molecular structure lightbox
CAS RN: 5874-75-9

H-ORN(Z)-OME HCL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250517 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-167058
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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: 5g
  • 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 5874-75-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

5874-75-9 / methyl (2S)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride

Standard CAS: 5874-75-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5874-75-9
Multi CAS
Yes
Molecular Formula
C14H21CLN2O4
Molecular Weight
316.780000
Exact Mass
316.118985
InChI
InChI=1S/C14H20N2O4.ClH/c1-19-13(17)12(15)8-5-9-16-14(18)20-10-11-6-3-2-4-7-11;/h2-4,6-7,12H,5,8-10,15H2,1H3,(H,16,18);1H/t12-;/m0./s1
InChIKey
ZUJMKNWYEVTCNT-YDALLXLXSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
81.1
TPSA
90.65

LogP / Solubility

WLOGP
1.62
MLOGP
1.44
XLogP3
1.62
Consensus LogP
1.56
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51

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
3

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