[email protected]
CAS 109664-02-0 Neocryptotanshinone molecular structure lightbox
CAS RN: 109664-02-0

Neocryptotanshinone

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250202 100mg In stock Shanghai Inquiry
Batchno.20250525 10mg In stock Shanghai Inquiry
Batchno.20260324 1mg In stock Shanghai Inquiry
Batchno.20251227 1mg / 5mg / 10mg Confirm by inquiry Shanghai, Chongqing Inquiry
Batchno.20260518 25mg In stock Shanghai Inquiry
Batchno.20260421 50mg In stock Shanghai Inquiry
Batchno.20250106 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS109664-02-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

109664-02-0 / 1-hydroxy-2-[(2R)-1-hydroxypropan-2-yl]-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione

1-hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione | 1-Hydroxy-2-(2-hydroxy-1-methylethyl)-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione | Tanshinone V

Standard CAS: 109664-02-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
109664-02-0
Multi CAS
Yes
Molecular Formula
C19H22O4
Molecular Weight
314.400000
Exact Mass
314.151809
SMILES
C[C@@H](CO)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O
InChI
InChI=1S/C19H22O4/c1-10(9-20)14-16(21)12-6-7-13-11(5-4-8-19(13,2)3)15(12)18(23)17(14)22/h6-7,10,20-21H,4-5,8-9H2,1-3H3/t10-/m0/s1
InChIKey
LGZFJHSOBYVDLA-JTQLQIEISA-N
Synonyms
1-hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione 1-Hydroxy-2-(2-hydroxy-1-methylethyl)-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione Tanshinone V 1-hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione CHEMBL1209715

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
87.54
TPSA
74.6

LogP / Solubility

WLOGP
2.96
MLOGP
2.62
XLogP3
3
Consensus LogP
2.86
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us