[email protected]
CAS 136082-41-2 (1S,2R,3R)-1,2,3,4-Tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-2,3-naphthalenedimethanol molecular structure lightbox
CAS RN: 136082-41-2

(1S,2R,3R)-1,2,3,4-Tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-2,3-naphthalenedimethanol

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260403 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS136082-41-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

136082-41-2 / (6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol

Standard CAS: 136082-41-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
136082-41-2
Multi CAS
No
Molecular Formula
C21H26O7
Molecular Weight
390.400000
Exact Mass
390.167853
SMILES
COC1=C(C(=C2[C@@H]([C@H]([C@@H](CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)OC)O
InChI
InChI=1S/C21H26O7/c1-26-16-7-11(4-5-15(16)24)18-14(10-23)13(9-22)6-12-8-17(27-2)20(25)21(28-3)19(12)18/h4-5,7-8,13-14,18,22-25H,6,9-10H2,1-3H3/t13-,14-,18+/m0/s1
InChIKey
ZPRAJLPWRSLALC-SUNYJGFJSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
4
Molar refractivity
102.57
TPSA
108.61

LogP / Solubility

WLOGP
2.03
MLOGP
1.81
XLogP3
2
Consensus LogP
1.95
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us