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CAS 114873-12-0 BOC-D-2,4-DICHLOROPHENYLALANINE molecular structure lightbox
CAS RN: 114873-12-0

BOC-D-2,4-DICHLOROPHENYLALANINE

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260116 1g In stock Inquiry
Batchno.20250527 1g / 5g / 10g / 25g Out of stock 8-10 business days Inquiry
Batchno.20250424 250mg In stock Inquiry
Batchno.20260627 25g In stock Inquiry
Batchno.20260424 5g In stock Inquiry
  • Product code: SSC-014596
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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 114873-12-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

114873-12-0 / (2R)-3-(2,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

(S)-2-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid | Boc-L-2,4-Dichlorophenylalanine | Boc-2,4-dichloro-L-phenylalanine

Standard CAS: 114873-12-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114873-12-0
Multi CAS
Yes
Molecular Formula
C14H17Cl2NO4
Molecular Weight
334.200000
Exact Mass
333.053463
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=C(C=C(C=C1)Cl)Cl)C(=O)O
InChI
InChI=1S/C14H17Cl2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)6-8-4-5-9(15)7-10(8)16/h4-5,7,11H,6H2,1-3H3,(H,17,20)(H,18,19)/t11-/m1/s1
InChIKey
KSDWBXFRQWMWHO-LLVKDONJSA-N
Synonyms
(S)-2-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid Boc-L-2,4-Dichlorophenylalanine Boc-2,4-dichloro-L-phenylalanine (S)-Boc-2,4-Dichlorophenylalanine MFCD01862942

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
80.96
TPSA
75.63

LogP / Solubility

WLOGP
3.51
MLOGP
3.11
XLogP3
3.8
Consensus LogP
3.47
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
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)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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