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CAS 114526-00-0 N-ALPHA-BENZYLOXYCARBONYL-N-ALPHA-METHYL-D-PHENYLALANINE molecular structure lightbox
CAS RN: 114526-00-0

N-ALPHA-BENZYLOXYCARBONYL-N-ALPHA-METHYL-D-PHENYLALANINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250506 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-014274
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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 114526-00-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

114526-00-0 / (2R)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid

Cbz-N-methyl-DL-phenylalanine | 2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid | 2-[benzyloxycarbonyl(methyl)amino]-3-phenyl-propanoic acid

Standard CAS: 114526-00-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114526-00-0
Multi CAS
Yes
Molecular Formula
C18H19NO4
Molecular Weight
313.300000
Exact Mass
313.131408
SMILES
CN([C@H](CC1=CC=CC=C1)C(=O)O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C18H19NO4/c1-19(18(22)23-13-15-10-6-3-7-11-15)16(17(20)21)12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,20,21)/t16-/m1/s1
InChIKey
JDGXKNMKNMSHRJ-MRXNPFEDSA-N
Synonyms
Cbz-N-methyl-DL-phenylalanine 2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid 2-[benzyloxycarbonyl(methyl)amino]-3-phenyl-propanoic acid MFCD09859635 NSC135129

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
85.96
TPSA
66.84

LogP / Solubility

WLOGP
2.95
MLOGP
2.61
XLogP3
3.2
Consensus LogP
2.92
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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