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CAS 1206727-13-0 Methyl 3-AMino-3-(3-hydroxyphenyl)propanoate Hydrochloride molecular structure lightbox
CAS RN: 1206727-13-0

Methyl 3-AMino-3-(3-hydroxyphenyl)propanoate Hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250211 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-021744
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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, 5g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 1206727-13-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Shanghai Inquiry
1g >95% 4 In Stock Shenzhen Inquiry

1206727-13-0 / methyl 3-amino-3-(3-hydroxyphenyl)propanoate;hydrochloride

Methyl 3-Amino-3-(3-hydroxyphenyl)propanoate Hydrochloride | METHYL 3-AMINO-3-(3-HYDROXYPHENYL)PROPANOATE HCL | methyl 3-amino-3-(3-hydroxyphenyl)propanoate;hydrochloride

Standard CAS: 1206727-13-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1206727-13-0
Multi CAS
No
Molecular Formula
C10H14ClNO3
Molecular Weight
231.670000
Exact Mass
231.066221
SMILES
COC(=O)CC(C1=CC(=CC=C1)O)N.Cl
InChI
InChI=1S/C10H13NO3.ClH/c1-14-10(13)6-9(11)7-3-2-4-8(12)5-7;/h2-5,9,12H,6,11H2,1H3;1H
InChIKey
ISRJRRVWAPZDPY-UHFFFAOYSA-N
Synonyms
Methyl 3-Amino-3-(3-hydroxyphenyl)propanoate Hydrochloride METHYL 3-AMINO-3-(3-HYDROXYPHENYL)PROPANOATE HCL methyl 3-amino-3-(3-hydroxyphenyl)propanoate;hydrochloride MFCD06740368 SCHEMBL6495931

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.92
TPSA
72.55

LogP / Solubility

WLOGP
1.38
MLOGP
1.22
XLogP3
1.38
Consensus LogP
1.33
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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