[email protected]
CAS 1260-04-4 polygalic acid molecular structure lightbox
CAS RN: 1260-04-4

polygalic acid

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260602 100mg Out of stock Inquiry
Batchno.20250929 25mg In stock Shanghai Inquiry
Batchno.20250512 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1260-04-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1260-04-4 / (2S,3R,4S,4aR,6aR,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,11,11,14b-pentamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picene-4,8a-dicarboxylic acid

Standard CAS: 1260-04-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260-04-4
Multi CAS
No
Molecular Formula
C29H44O6
Molecular Weight
488.700000
Exact Mass
488.313789
SMILES
C[C@@]12CC[C@@H]3[C@@]([C@H]1CCC4=C2CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)(C[C@@H]([C@@H]([C@@]3(C)C(=O)O)O)O)C
InChI
InChI=1S/C29H44O6/c1-25(2)12-13-29(24(34)35)11-8-17-16(18(29)14-25)6-7-20-26(17,3)10-9-21-27(20,4)15-19(30)22(31)28(21,5)23(32)33/h18-22,30-31H,6-15H2,1-5H3,(H,32,33)(H,34,35)/t18-,19-,20-,21+,22-,26-,27+,28-,29+/m0/s1
InChIKey
VZRKWGPIZJDNHC-LUNVCWBOSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
131.49
TPSA
115.06

LogP / Solubility

WLOGP
5.02
MLOGP
4.45
XLogP3
4.9
Consensus LogP
4.79
Log S (ESOL)
-5.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.25
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

Customers Also Viewed

Get In Touch

Contact Us