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CAS 1887197-42-3 N’-((2S,3S)-2-(Benzyloxy)pentan-3-yl)formohydrazide oxalate molecular structure lightbox
CAS RN: 1887197-42-3

N’-((2S,3S)-2-(Benzyloxy)pentan-3-yl)formohydrazide oxalate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251010 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-087856
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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: ≥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 1887197-42-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1887197-42-3 / oxalic acid;N-[[(2S,3S)-2-phenylmethoxypentan-3-yl]amino]formamide

Standard CAS: 1887197-42-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1887197-42-3
Multi CAS
No
Molecular Formula
C15H22N2O6
Molecular Weight
326.340000
Exact Mass
326.147786
SMILES
CC[C@@H]([C@H](C)OCC1=CC=CC=C1)NNC=O.C(=O)(C(=O)O)O
InChI
InChI=1S/C13H20N2O2.C2H2O4/c1-3-13(15-14-10-16)11(2)17-9-12-7-5-4-6-8-12;3-1(4)2(5)6/h4-8,10-11,13,15H,3,9H2,1-2H3,(H,14,16);(H,3,4)(H,5,6)/t11-,13-;/m0./s1
InChIKey
NHBNQZOZYCCDJW-JZKFLRDJSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
4
Molar refractivity
82.38
TPSA
124.96

LogP / Solubility

WLOGP
0.78
MLOGP
0.7
XLogP3
0.78
Consensus LogP
0.75
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.39
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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