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CAS 120100-15-4 Methyl 3-aMino-2-chlorobenzoate molecular structure lightbox
CAS RN: 120100-15-4

Methyl 3-aMino-2-chlorobenzoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260506 25mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-020885
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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, 0.25g, 1g, 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 120100-15-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Shanghai Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

120100-15-4 / methyl 3-amino-2-chlorobenzoate

METHYL 3-AMINO-2-CHLOROBENZOATE | DTXSID70568748 | RefChem:354802

Standard CAS: 120100-15-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
120100-15-4
Multi CAS
No
Molecular Formula
C8H8ClNO2
Molecular Weight
185.610000
Exact Mass
185.024356
SMILES
COC(=O)C1=C(C(=CC=C1)N)Cl
InChI
InChI=1S/C8H8ClNO2/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4H,10H2,1H3
InChIKey
NKBQKMXNIWIFAE-UHFFFAOYSA-N
Synonyms
METHYL 3-AMINO-2-CHLOROBENZOATE DTXSID70568748 RefChem:354802 DTXCID60519522 MFCD16036890

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.2
TPSA
52.32

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.7
Consensus LogP
1.64
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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