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CAS 612484-55-6 BOC-7-BROMO-L-TRYPTOPHAN molecular structure lightbox
CAS RN: 612484-55-6

BOC-7-BROMO-L-TRYPTOPHAN

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250816 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-170018
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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 612484-55-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

612484-55-6 / 3-(7-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 612484-55-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
612484-55-6
Multi CAS
Yes
Molecular Formula
BC16H19O4Rn2
Molecular Weight
383.240000
Exact Mass
382.052820
InChI
InChI=1S/C16H19BrN2O4/c1-16(2,3)23-15(22)19-12(14(20)21)7-9-8-18-13-10(9)5-4-6-11(13)17/h4-6,8,12,18H,7H2,1-3H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKey
XQVLODKGIHVFTP-LBPRGKRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
90.5
TPSA
91.42

LogP / Solubility

WLOGP
3.45
MLOGP
3.06
XLogP3
3.3
Consensus LogP
3.27
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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