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CAS 200927-02-2 D-HISTIDINE(1-TRT)-OME HCL molecular structure lightbox
CAS RN: 200927-02-2

D-HISTIDINE(1-TRT)-OME HCL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250118 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-094799
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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 200927-02-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

200927-02-2 / methyl (2R)-2-amino-3-(1-tritylimidazol-4-yl)propanoate;hydrochloride

Standard CAS: 200927-02-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
200927-02-2
Multi CAS
No
Molecular Formula
C26H26ClN3O2
Molecular Weight
448.000000
Exact Mass
447.171355
SMILES
COC(=O)[C@@H](CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N.Cl
InChI
InChI=1S/C26H25N3O2.ClH/c1-31-25(30)24(27)17-23-18-29(19-28-23)26(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22;/h2-16,18-19,24H,17,27H2,1H3;1H/t24-;/m1./s1
InChIKey
RSIWDQDVADNDKT-GJFSDDNBSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
23
Fraction Csp3
0.15
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
127.78
TPSA
70.14

LogP / Solubility

WLOGP
4.19
MLOGP
3.72
XLogP3
4.19
Consensus LogP
4.03
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.89
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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