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CAS 1071436-31-1 (R)-3-(4-METHOXYPHENYL)-BETA-ALANINOL molecular structure lightbox
CAS RN: 1071436-31-1

(R)-3-(4-METHOXYPHENYL)-BETA-ALANINOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250918 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-008584
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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: ＞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 1071436-31-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1071436-31-1 / (3R)-3-amino-3-(4-methoxyphenyl)propan-1-ol

3-amino-3-(4-methoxyphenyl)propan-1-ol | 3-amino-3-(4-methoxyphenyl)-1-propanol | 3-Amino-3-(4-methoxy-phenyl)-propan-1-ol

Standard CAS: 1071436-31-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1071436-31-1
Multi CAS
Yes
Molecular Formula
C10H15NO2
Molecular Weight
181.230000
Exact Mass
181.110279
SMILES
COC1=CC=C(C=C1)[C@@H](CCO)N
InChI
InChI=1S/C10H15NO2/c1-13-9-4-2-8(3-5-9)10(11)6-7-12/h2-5,10,12H,6-7,11H2,1H3/t10-/m1/s1
InChIKey
WHWMCHUIUINGOD-SNVBAGLBSA-N
Synonyms
3-amino-3-(4-methoxyphenyl)propan-1-ol 3-amino-3-(4-methoxyphenyl)-1-propanol 3-Amino-3-(4-methoxy-phenyl)-propan-1-ol MFCD01863268 3-(4-methoxyphenyl)-dl-beta-alaninol

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.63
TPSA
55.48

LogP / Solubility

WLOGP
1.08
MLOGP
0.95
XLogP3
0.5
Consensus LogP
0.84
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
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)
-3.06

Drug-likeness / Medicinal Chemistry

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

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