[email protected]
CAS 38642-49-8 benzoylpaeoniflorin molecular structure lightbox
CAS RN: 38642-49-8

benzoylpaeoniflorin

Product Availability

Choose a grade to view its available package options.

10 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250617 100mg In stock Shandong Inquiry
Batchno.20250123 20mg In stock Shanghai, Shandong Inquiry
Batchno.20250723 500mg Out of stock 5-7 business days Inquiry
Batchno.20260208 5mg In stock Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250204 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250811 10mg In stock Shanghai Inquiry
Batchno.20260210 1mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250830 25mg In stock Shanghai Inquiry
Batchno.20250512 50mg In stock Shanghai Inquiry
Batchno.20260405 5mg In stock Shanghai Inquiry
  • Product code: SSC-146263
GET A QUOTE
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
Request Bulk Quote

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 38642-49-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

38642-49-8 / [(3S,5R,6S)-1-[(4,5-dihydroxycyclohex-2-ene-1-carbonyl)oxymethyl]-3-[[(1R)-5,7-dioxatricyclo[4.2.1.03,9]nona-3,6(9)-dien-1-yl]oxy]-5,6-dihydroxy-4-methyl-2-oxabicyclo[2.2.1]heptan-3-yl]methyl benzoate

Standard CAS: 38642-49-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
38642-49-8
Multi CAS
Yes
Molecular Formula
C30H32O12
Molecular Weight
584.600000
Exact Mass
584.189376
InChI
InChI=1S/C30H32O12/c1-27-14-29(36)19-12-30(27,28(19,26(41-27)42-29)15-38-24(35)17-10-6-3-7-11-17)40-25-22(33)21(32)20(31)18(39-25)13-37-23(34)16-8-4-2-5-9-16/h2-11,18-22,25-26,31-33,36H,12-15H2,1H3/t18-,19-,20-,21+,22-,25+,26-,27+,28+,29-,30+/m1/s1
InChIKey
LATYEZNGPQKAIK-HRCYFWENSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
11
Fraction Csp3
0.53
Rotatable bonds
8
H-bond acceptors
12
H-bond donors
4
Molar refractivity
138.9
TPSA
174.35

LogP / Solubility

WLOGP
0.74
MLOGP
0.69
XLogP3
-0.6
Consensus LogP
0.28
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.76

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us