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CAS 56116-62-2 4-Chlorobenzoyl-L-tryptophan Calcium Salt molecular structure lightbox
CAS RN: 56116-62-2

4-Chlorobenzoyl-L-tryptophan Calcium Salt

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250603 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-164091
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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: 5g
  • Available purity: ＞97%
  • 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 56116-62-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

56116-62-2 / calcium bis((2S)-2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate)

Standard CAS: 56116-62-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56116-62-2
Multi CAS
Yes
Molecular Formula
C36H28CACL2N4O6
Molecular Weight
723.600000
Exact Mass
722.101181
InChI
InChI=1S/2C18H15ClN2O3.Ca/c2*19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15;/h2*1-8,10,16,20H,9H2,(H,21,22)(H,23,24);/q;;+2/p-2/t2*16-;/m00./s1
InChIKey
BTTZKEFKFLGNEC-WUBQCMAVSA-L

Computed Properties

Structural Parameters

Heavy atom count
49
Aromatic heavy atom count
30
Fraction Csp3
0.11
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
4
Molar refractivity
185.19
TPSA
170.04

LogP / Solubility

WLOGP
3.44
MLOGP
3.09
XLogP3
3.44
Consensus LogP
3.32
Log S (ESOL)
-6.29
Class (ESOL)
Insoluble
Log S (Ali)
-7.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.42
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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