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CAS 58810-67-6 4(S)-Amino-chroman-3(S)-ol molecular structure lightbox
CAS RN: 58810-67-6

4(S)-Amino-chroman-3(S)-ol

  • Product code: SSC-167143
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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 58810-67-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

58810-67-6 / (3S,4S)-4-amino-3,4-dihydro-2H-chromen-3-ol

Standard CAS: 58810-67-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58810-67-6
Multi CAS
Yes
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
InChI
InChI=1S/C9H11NO2/c10-9-6-3-1-2-4-8(6)12-5-7(9)11/h1-4,7,9,11H,5,10H2/t7-,9+/m1/s1
InChIKey
JVPRWKWUBCZNJO-APPZFPTMSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
3
H-bond donors
2
Molar refractivity
44.87
TPSA
55.48

LogP / Solubility

WLOGP
0.44
MLOGP
0.38
XLogP3
-0.1
Consensus LogP
0.24
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
Class (SILICOS-IT)
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)
-3.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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