CAS 13122-90-2 Boc-Phe-Phe-OH molecular structure

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CAS RN: 13122-90-2

Boc-Phe-Phe-OH

Product Availability

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8 package records7 with current stock2 grade groups

Grade In stock only

Batch No.	Package	Availability	Inquiry
Batchno.20250825	1g	In stock	Inquiry
Batchno.20250319	25g	In stock	Inquiry
Batchno.20250628	5g	In stock	Inquiry

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20251210	100g	Out of stock		Inquiry
Batchno.20250718	1g	In stock	Shanghai, Shenzhen, Wuhan	Inquiry
Batchno.20260220	1g / 5g / 25g	Confirm by inquiry	Shanghai, Shandong	Inquiry
Batchno.20250606	25g	In stock	Shanghai	Inquiry
Batchno.20250626	5g	In stock	Shanghai, Tianjin, Chengdu	Inquiry

Product code: SSC-037934

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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: 25g
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 13122-90-2
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
25g	＞97%	0 Out of Stock	Beijing	Inquiry

13122-90-2 / (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid

Standard CAS: 13122-90-2 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

13122-90-2

Multi CAS

Molecular Formula

C23H28N2O5

Molecular Weight

412.500000

Exact Mass

412.199822

SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H28N2O5/c1-23(2,3)30-22(29)25-18(14-16-10-6-4-7-11-16)20(26)24-19(21(27)28)15-17-12-8-5-9-13-17/h4-13,18-19H,14-15H2,1-3H3,(H,24,26)(H,25,29)(H,27,28)/t18-,19-/m0/s1

InChIKey

NNOBHAOOLCEJBL-OALUTQOASA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.35

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

113.02

TPSA

104.73

LogP / Solubility

WLOGP

2.93

MLOGP

2.61

XLogP3

3.1

Consensus LogP

2.88

Log S (ESOL)

-4.01

Class (ESOL)

Slightly soluble

Log S (Ali)

-5.06

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-5.74

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

Yes

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-3.15

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

3.5

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statement Codes

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501