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CAS 10030-31-6 AC-PHE-PHE-OH molecular structure lightbox
CAS RN: 10030-31-6

AC-PHE-PHE-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260519 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-000774
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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 10030-31-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

10030-31-6 / (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanoic acid

N-(N-Acetyl-3-phenyl-L-alanyl)-3-phenyl-L-alanine | N-acetylphenylalanylphenylalanine | MLS001197049

Standard CAS: 10030-31-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10030-31-6
Multi CAS
Yes
Molecular Formula
C20H22N2O4
Molecular Weight
354.400000
Exact Mass
354.157957
SMILES
CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C20H22N2O4/c1-14(23)21-17(12-15-8-4-2-5-9-15)19(24)22-18(20(25)26)13-16-10-6-3-7-11-16/h2-11,17-18H,12-13H2,1H3,(H,21,23)(H,22,24)(H,25,26)/t17-,18-/m0/s1
InChIKey
RXVJYWBNKIQSSP-ROUUACIJSA-N
Synonyms
N-(N-Acetyl-3-phenyl-L-alanyl)-3-phenyl-L-alanine N-acetylphenylalanylphenylalanine MLS001197049 EINECS 233-078-1 2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanoic acid

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
3
Molar refractivity
97.46
TPSA
95.5

LogP / Solubility

WLOGP
1.55
MLOGP
1.38
XLogP3
1.9
Consensus LogP
1.61
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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