CAS 62697-87-4 N-Boc-1-trityl-L-histidine Methyl Ester molecular structure

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CAS RN: 62697-87-4

N-Boc-1-trityl-L-histidine Methyl Ester

Product code: SSC-171959

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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

Pack sizes on record: 0.1g, 0.25g, 1g, 5g
Available purity: >95%
Inventory rows with stock: 2
Bulk packaging: confirmed by inquiry

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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 62697-87-4
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	>95%	1 In Stock	Beijing	Inquiry
0.25g	>95%	1 In Stock	Beijing	Inquiry
1g	>95%	0 Out of Stock	Shanghai	Inquiry
5g	>95%	0 Out of Stock	Shenzhen	Inquiry

62697-87-4 / methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-tritylimidazol-4-yl)propanoate

Standard CAS: 62697-87-4 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

62697-87-4

Multi CAS

Yes

Molecular Formula

C31H33N3O4

Molecular Weight

511.600000

Exact Mass

511.247107

InChI

InChI=1S/C31H33N3O4/c1-30(2,3)38-29(36)33-27(28(35)37-4)20-26-21-34(22-32-26)31(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,21-22,27H,20H2,1-4H3,(H,33,36)/t27-/m0/s1

InChIKey

JIIRTMRRZNOCAR-MHZLTWQESA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.26

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

145.71

TPSA

82.45

LogP / Solubility

WLOGP

5.33

MLOGP

4.73

XLogP3

5.7

Consensus LogP

5.25

Log S (ESOL)

-6.29

Class (ESOL)

Insoluble

Log S (Ali)

-7.61

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-8.37

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-2.06

Drug-likeness / Medicinal Chemistry

Lipinski

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.56

Brenk alerts

Leadlikeness

Synthetic Accessibility

Applications of CAS 62697-87-4

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 62697-87-4 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.