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CAS 90580-64-6 4-BORONO-DL-PHENYLALANINE B10 ENRICHED molecular structure lightbox
CAS RN: 90580-64-6

4-BORONO-DL-PHENYLALANINE B10 ENRICHED

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250522 25mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251008 100mg In stock Shanghai Inquiry
Batchno.20250706 1g In stock Shanghai Inquiry
Batchno.20250204 250mg In stock Shanghai Inquiry
Batchno.20250219 5g In stock Shanghai Inquiry
  • Product code: SSC-203130
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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 90580-64-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

90580-64-6 / 2-amino-3-(4-boronophenyl)propanoic acid

Standard CAS: 90580-64-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90580-64-6
Multi CAS
Yes
Molecular Formula
BC9H12NO4
Molecular Weight
209.010000
Exact Mass
209.085938
InChI
InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)
InChIKey
NFIVJOSXJDORSP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
55.58
TPSA
103.78

LogP / Solubility

WLOGP
-1.68
MLOGP
-1.48
XLogP3
-1.68
Consensus LogP
-1.61
Log S (ESOL)
-0.11
Class (ESOL)
Very soluble
Log S (Ali)
-0.06
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.1
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-5.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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