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CAS 1241678-17-0 (S)-N-Boc-2-(3,4-dichlorophenyl)glycine molecular structure lightbox
CAS RN: 1241678-17-0

(S)-N-Boc-2-(3,4-dichlorophenyl)glycine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250303 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-027966
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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: 1g
  • 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 1241678-17-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1241678-17-0 / (2S)-2-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

Standard CAS: 1241678-17-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1241678-17-0
Multi CAS
No
Molecular Formula
C13H15Cl2NO4
Molecular Weight
320.160000
Exact Mass
319.037813
SMILES
CC(C)(C)OC(=O)N[C@@H](C1=CC(=C(C=C1)Cl)Cl)C(=O)O
InChI
InChI=1S/C13H15Cl2NO4/c1-13(2,3)20-12(19)16-10(11(17)18)7-4-5-8(14)9(15)6-7/h4-6,10H,1-3H3,(H,16,19)(H,17,18)/t10-/m0/s1
InChIKey
UMIXQOHZODWWEI-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
76.21
TPSA
75.63

LogP / Solubility

WLOGP
3.64
MLOGP
3.22
XLogP3
3.5
Consensus LogP
3.45
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

Drug-likeness / Medicinal Chemistry

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

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