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CAS 721958-72-1 N-[2-[(Methylamino)carbonyl]benzoyl] molecular structure lightbox
CAS RN: 721958-72-1

N-[2-[(Methylamino)carbonyl]benzoyl]

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260517 50mg Out of stock 15 business days Inquiry
  • Product code: SSC-181742
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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 721958-72-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

721958-72-1 / 5-O-ethyl 3-O-methyl 4-(2-chlorophenyl)-2-methyl-6-[2-[[2-(methylcarbamoyl)benzoyl]amino]ethoxymethyl]-1,4-dihydropyridine-3,5-dicarboxylate

Standard CAS: 721958-72-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
721958-72-1
Multi CAS
Yes
Molecular Formula
C29H32CLN3O7
Molecular Weight
570.000000
Exact Mass
569.192878
InChI
InChI=1S/C29H32ClN3O7/c1-5-40-29(37)25-22(16-39-15-14-32-27(35)19-11-7-6-10-18(19)26(34)31-3)33-17(2)23(28(36)38-4)24(25)20-12-8-9-13-21(20)30/h6-13,24,33H,5,14-16H2,1-4H3,(H,31,34)(H,32,35)
InChIKey
SNNCONCKJDOFKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
12
Fraction Csp3
0.31
Rotatable bonds
11
H-bond acceptors
8
H-bond donors
3
Molar refractivity
148.69
TPSA
132.06

LogP / Solubility

WLOGP
3.1
MLOGP
2.77
XLogP3
4.2
Consensus LogP
3.36
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.26
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

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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