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CAS 30062-14-7 9-(Hydroxymethyl)-2,3,6-trimethoxyphenanthrene molecular structure lightbox
CAS RN: 30062-14-7

9-(Hydroxymethyl)-2,3,6-trimethoxyphenanthrene

  • Product code: SSC-133675
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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, 5g, 0.25g, 1g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 30062-14-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
10g >95% 1 In Stock Shenzhen Inquiry

30062-14-7 / (2,3,6-trimethoxyphenanthren-9-yl)methanol

Standard CAS: 30062-14-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30062-14-7
Multi CAS
No
Molecular Formula
C18H18O4
Molecular Weight
298.300000
Exact Mass
298.120509
InChI
InChI=1S/C18H18O4/c1-20-13-4-5-14-12(10-19)6-11-7-17(21-2)18(22-3)9-15(11)16(14)8-13/h4-9,19H,10H2,1-3H3
InChIKey
QAEVXOPQWYSOSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
14
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
87.03
TPSA
47.92

LogP / Solubility

WLOGP
3.51
MLOGP
3.1
XLogP3
3.4
Consensus LogP
3.34
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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