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CAS 274927-61-6 1-Phenylmethyl-L-histidine methyl ester monohydrochloride molecular structure lightbox
CAS RN: 274927-61-6

1-Phenylmethyl-L-histidine methyl ester monohydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260419 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-126878
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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: 0.25g
  • 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 274927-61-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

274927-61-6 / [(2S)-3-(1-benzylimidazol-4-yl)-1-methoxy-1-oxopropan-2-yl]azanium chloride

Standard CAS: 274927-61-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
274927-61-6
Multi CAS
Yes
Molecular Formula
C14H18CLN3O2
Molecular Weight
295.760000
Exact Mass
295.108755
InChI
InChI=1S/C14H17N3O2.ClH/c1-19-14(18)13(15)7-12-9-17(10-16-12)8-11-5-3-2-4-6-11;/h2-6,9-10,13H,7-8,15H2,1H3;1H/t13-;/m0./s1
InChIKey
PDWWNBDQGDYHPH-ZOWNYOTGSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.17
TPSA
71.76

LogP / Solubility

WLOGP
-2.74
MLOGP
-2.4
XLogP3
-2.74
Consensus LogP
-2.63
Log S (ESOL)
-0.03
Class (ESOL)
Very soluble
Log S (Ali)
-0.01
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.09
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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