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CAS 18445-71-1 penitricin B molecular structure lightbox
CAS RN: 18445-71-1

penitricin B

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260628 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-085276
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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: 0.25g
  • 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 18445-71-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

18445-71-1 / (E)-4-hydroxybut-2-enal

Standard CAS: 18445-71-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18445-71-1
Multi CAS
No
Molecular Formula
C4H6O2
Molecular Weight
86.090000
Exact Mass
86.036779
SMILES
C(/C=C/C=O)O
InChI
InChI=1S/C4H6O2/c5-3-1-2-4-6/h1-3,6H,4H2/b2-1+
InChIKey
FXCMZPXXCRHRNK-OWOJBTEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
22.29
TPSA
37.3

LogP / Solubility

WLOGP
-0.27
MLOGP
-0.25
XLogP3
-0.7
Consensus LogP
-0.41
Log S (ESOL)
-0.07
Class (ESOL)
Very soluble
Log S (Ali)
-0.07
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.24
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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