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CAS 58635-46-4 N-(METHOXYCARBONYL)-L-TRYPTOPHAN METHYL ESTER molecular structure lightbox
CAS RN: 58635-46-4

N-(METHOXYCARBONYL)-L-TRYPTOPHAN METHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251110 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-166946
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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: >98%
  • 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 58635-46-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 0 Out of Stock Beijing Inquiry

58635-46-4 / methyl 3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate

Standard CAS: 58635-46-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58635-46-4
Multi CAS
Yes
Molecular Formula
C14H16N2O4
Molecular Weight
276.290000
Exact Mass
276.111007
InChI
InChI=1S/C14H16N2O4/c1-19-13(17)12(16-14(18)20-2)7-9-8-15-11-6-4-3-5-10(9)11/h3-6,8,12,15H,7H2,1-2H3,(H,16,18)
InChIKey
IYEKFSMKXYQRLC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
73.35
TPSA
80.42

LogP / Solubility

WLOGP
1.61
MLOGP
1.42
XLogP3
1.8
Consensus LogP
1.61
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly 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)
-3.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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