[email protected]
CAS 142203-65-4 13-Acetyl-9-dihydrobaccatin III molecular structure lightbox
CAS RN: 142203-65-4

13-Acetyl-9-dihydrobaccatin III

Product Availability

Choose a grade to view its available package options.

8 package records5 with current stock5 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251223 1g In stock Inquiry
Batchno.20250202 250mg In stock Inquiry
Batchno.20250217 50mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250930 250mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260401 250mg In stock Shandong Inquiry
Batchno.20250716 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260406 20mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250130 20mg In stock Inquiry
  • Product code: starshine_CAS142203-65-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

142203-65-4 / [(1S,2S,3R,4S,7R,9S,10S,11R,12R,15S)-4,12,15-triacetyloxy-1,9,11-trihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Standard CAS: 142203-65-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142203-65-4
Multi CAS
No
Molecular Formula
C33H42O12
Molecular Weight
630.700000
Exact Mass
630.267627
SMILES
CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O)OC(=O)C
InChI
InChI=1S/C33H42O12/c1-16-21(42-17(2)34)14-33(40)28(44-29(39)20-11-9-8-10-12-20)26-31(7,22(37)13-23-32(26,15-41-23)45-19(4)36)27(38)25(43-18(3)35)24(16)30(33,5)6/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26-,27-,28-,31+,32-,33+/m0/s1
InChIKey
WPPPFZJNKLMYBW-FAEUQDRCSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
5
H-bond acceptors
12
H-bond donors
3
Molar refractivity
155.27
TPSA
175.12

LogP / Solubility

WLOGP
2.02
MLOGP
1.83
XLogP3
1.5
Consensus LogP
1.78
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.03
Class (SILICOS-IT)
Insoluble

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)
-5.14

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