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CAS 2469-34-3 SENEGENIN molecular structure lightbox
CAS RN: 2469-34-3

SENEGENIN

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260518 100mg In stock Shanghai Inquiry
Batchno.20260415 25mg In stock Shanghai Inquiry
Batchno.20250506 50mg In stock Shanghai Inquiry
  • Product code: SSC-119634
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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: 0.1g
  • 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 2469-34-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

2469-34-3 / 13-(chloromethyl)-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: 2469-34-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2469-34-3
Multi CAS
No
Molecular Formula
C30H45ClO6
Molecular Weight
537.100000
Exact Mass
536.290467
SMILES
CC1(CCC2(CCC3=C(C2C1)C(CC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)CCl)C(=O)O)C
InChI
InChI=1S/C30H45ClO6/c1-26(2)10-11-30(25(36)37)9-6-17-22(18(30)13-26)16(15-31)12-21-27(17,3)8-7-20-28(21,4)14-19(32)23(33)29(20,5)24(34)35/h16,18-21,23,32-33H,6-15H2,1-5H3,(H,34,35)(H,36,37)/t16-,18+,19+,20-,21+,23+,27+,28+,29+,30-/m1/s1
InChIKey
CWHJIJJSDGEHNS-MYLFLSLOSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.87
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
141.08
TPSA
115.06

LogP / Solubility

WLOGP
5.49
MLOGP
4.87
XLogP3
5.1
Consensus LogP
5.15
Log S (ESOL)
-6.43
Class (ESOL)
Insoluble
Log S (Ali)
-7.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.07
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)
-2.1

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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