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CAS 311310-97-1 2-AMino-6-(Methoxycarbonyl)benzoic Acid Hydrochloride molecular structure lightbox
CAS RN: 311310-97-1

2-AMino-6-(Methoxycarbonyl)benzoic Acid Hydrochloride

  • Product code: SSC-136391
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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: 1g, 5g, 0.25g, 0.1g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 311310-97-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 3 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
10g >95% 1 In Stock Hong Kong Inquiry
25g >95% 1 In Stock Shanghai Inquiry

311310-97-1 / 2-amino-6-methoxycarbonylbenzoic acid;hydrochloride

Standard CAS: 311310-97-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
311310-97-1
Multi CAS
Yes
Molecular Formula
C9H10CLNO4
Molecular Weight
231.630000
Exact Mass
231.029836
InChI
InChI=1S/C9H9NO4.ClH/c1-14-9(13)5-3-2-4-6(10)7(5)8(11)12;/h2-4H,10H2,1H3,(H,11,12);1H
InChIKey
VDKKHVAEYCYZSU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
56.4
TPSA
89.62

LogP / Solubility

WLOGP
1.18
MLOGP
1.04
XLogP3
1.18
Consensus LogP
1.13
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3

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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