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CAS 1212827-86-5 (S)-3-(1-AMINO-3-HYDROXY-PROPYL)-PHENOL HCL molecular structure lightbox
CAS RN: 1212827-86-5

(S)-3-(1-AMINO-3-HYDROXY-PROPYL)-PHENOL HCL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250129 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-023091
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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: 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 1212827-86-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1212827-86-5 / 3-[(1S)-1-amino-3-hydroxypropyl]phenol;hydrochloride

(S)-3-(1-Amino-3-hydroxypropyl)phenol hydrochloride | (S)-3-(1-AMINO-3-HYDROXY-PROPYL)-PHENOL HCL | (S)-3-(1-Amino-3-hydroxy-propyl)-phenol hydrochloride

Standard CAS: 1212827-86-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212827-86-5
Multi CAS
Yes
Molecular Formula
C9H14ClNO2
Molecular Weight
203.660000
Exact Mass
203.071306
SMILES
C1=CC(=CC(=C1)O)[C@H](CCO)N.Cl
InChI
InChI=1S/C9H13NO2.ClH/c10-9(4-5-11)7-2-1-3-8(12)6-7;/h1-3,6,9,11-12H,4-5,10H2;1H/t9-;/m0./s1
InChIKey
NUBYNIGJZVNIBG-FVGYRXGTSA-N
Synonyms
(S)-3-(1-Amino-3-hydroxypropyl)phenol hydrochloride (S)-3-(1-AMINO-3-HYDROXY-PROPYL)-PHENOL HCL (S)-3-(1-Amino-3-hydroxy-propyl)-phenol hydrochloride MFCD11053647 3-[(1S)-1-amino-3-hydroxypropyl]phenol;hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
53.99
TPSA
66.48

LogP / Solubility

WLOGP
1.2
MLOGP
1.05
XLogP3
1.2
Consensus LogP
1.15
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-3.11

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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