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CAS 1035072-16-2 ML162 molecular structure lightbox
CAS RN: 1035072-16-2

ML162

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7 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250816 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260214 5mg / 25mg / 50mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250321 100mg In stock Shanghai Inquiry
Batchno.20250203 10mg In stock Shanghai Inquiry
Batchno.20250715 25mg In stock Shanghai Inquiry
Batchno.20260129 50mg In stock Shanghai Inquiry
Batchno.20251228 5mg In stock Shanghai Inquiry
  • Product code: SSC-005069
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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: 0.1g
  • 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 1035072-16-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1035072-16-2 / 2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide

ML162 | ML-162 | RefChem:925987

Standard CAS: 1035072-16-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1035072-16-2
Multi CAS
No
Molecular Formula
C23H22Cl2N2O3S
Molecular Weight
477.400000
Exact Mass
476.072819
SMILES
COC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl)Cl
InChI
InChI=1S/C23H22Cl2N2O3S/c1-30-19-10-9-17(14-18(19)25)27(21(28)15-24)22(20-8-5-13-31-20)23(29)26-12-11-16-6-3-2-4-7-16/h2-10,13-14,22H,11-12,15H2,1H3,(H,26,29)
InChIKey
UNVKYJSNMVDZJE-UHFFFAOYSA-N
Synonyms
ML162 ML-162 RefChem:925987 CHEBI:176499 2-[(chloroacetyl)(3-chloro-4-methoxyphenyl)amino]-N-(2-phenylethyl)-2-thien-2-ylacetamide

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
17
Fraction Csp3
0.22
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
126.43
TPSA
58.64

LogP / Solubility

WLOGP
5.08
MLOGP
4.51
XLogP3
5.2
Consensus LogP
4.93
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.06
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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