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CAS 80102-23-4 BOC-D-2-Chlorophe molecular structure lightbox
CAS RN: 80102-23-4

BOC-D-2-Chlorophe

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250815 1g In stock Shanghai Inquiry
Batchno.20251117 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260519 25g In stock Tianjin, Chengdu Inquiry
Batchno.20251129 5g In stock Shanghai, Tianjin, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250903 1g / 5g / 25g Confirm by inquiry Shandong 8-10 business days Inquiry
  • Product code: SSC-189090
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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: 10g
  • 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 80102-23-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

80102-23-4 / (2S)-3-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 80102-23-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80102-23-4
Multi CAS
Yes
Molecular Formula
C14H18CLNO4
Molecular Weight
299.750000
Exact Mass
299.092436
InChI
InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKey
TUUQJNHCVFJMPU-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.95
TPSA
75.63

LogP / Solubility

WLOGP
2.86
MLOGP
2.53
XLogP3
3.1
Consensus LogP
2.83
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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