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CAS 1001347-19-8 4-Amino-2-chloro-5-methoxy-benzoic acid molecular structure lightbox
CAS RN: 1001347-19-8

4-Amino-2-chloro-5-methoxy-benzoic acid

  • Product code: SSC-000514
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1001347-19-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry

1001347-19-8 / 4-amino-2-chloro-5-methoxybenzoic acid

4-amino-2-chloro-5-methoxybenzoic acid | 4-amino-2-chloro-5-methoxy-benzoic acid | MFCD24499075

Standard CAS: 1001347-19-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1001347-19-8
Multi CAS
No
Molecular Formula
C8H8ClNO3
Molecular Weight
201.610000
Exact Mass
201.019271
SMILES
COC1=C(C=C(C(=C1)C(=O)O)Cl)N
InChI
InChI=1S/C8H8ClNO3/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3H,10H2,1H3,(H,11,12)
InChIKey
YHGWZVSXRFBPNJ-UHFFFAOYSA-N
Synonyms
4-amino-2-chloro-5-methoxybenzoic acid 4-amino-2-chloro-5-methoxy-benzoic acid MFCD24499075 SCHEMBL1356241 YHGWZVSXRFBPNJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.38
TPSA
72.55

LogP / Solubility

WLOGP
1.63
MLOGP
1.43
XLogP3
1.4
Consensus LogP
1.49
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.79

Drug-likeness / Medicinal Chemistry

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

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