CAS 78454-17-8 7-EPI-10-DEACETYLTAXOL molecular structure

lightbox

CAS RN: 78454-17-8

7-EPI-10-DEACETYLTAXOL

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups

Grade In stock only

Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20250717	5mg	Out of stock	30 business days	Inquiry

Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20250514	2mg	Out of stock		Inquiry

Product code: starshine_CAS78454-17-8
Purity/Analytical Methods: >99.0%

GET A QUOTE

78454-17-8 / [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Standard CAS: 78454-17-8 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

78454-17-8

Multi CAS

Yes

Molecular Formula

C45H49NO13

Molecular Weight

811.900000

Exact Mass

811.320391

InChI

InChI=1S/C45H49NO13/c1-24-29(57-41(54)35(50)33(26-15-9-6-10-16-26)46-39(52)27-17-11-7-12-18-27)22-45(55)38(58-40(53)28-19-13-8-14-20-28)36-43(5,37(51)34(49)32(24)42(45,3)4)30(48)21-31-44(36,23-56-31)59-25(2)47/h6-20,29-31,33-36,38,48-50,55H,21-23H2,1-5H3,(H,46,52)/t29-,30+,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1

InChIKey

TYLVGQKNNUHXIP-DIYBZAJCSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.44

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

208.14

TPSA

215.22

LogP / Solubility

WLOGP

3.16

MLOGP

2.86

XLogP3

1.9

Consensus LogP

2.64

Log S (ESOL)

-6.5

Class (ESOL)

Insoluble

Log S (Ali)

-8.5

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-8.64

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

Yes

CYP1A2 inhibitor

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-5.43

Drug-likeness / Medicinal Chemistry

Lipinski

Ghose

Veber

Egan

Muegge

Bioavailability score

0.17

Brenk alerts

Leadlikeness

Synthetic Accessibility

7-EPI-10-DEACETYLTAXOL

Product Availability

78454-17-8 / [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

Customers Also Viewed

2-AMINO-4-NITROBENZENEMETHANOL

1-(4-CHLOROPHENYL)-2-METHYLPROPAN-1-AMINE

2-HYDROXY-6,7-DICHLOROQUINOXALINE

1-propanesulfonamide, 3-chloro-N,N-dimethyl-

2-AMINO-3,5-DICYANOPYRIDINE

8-Methyl-8-Azabicyclo[3.2.1]octan-2-one

Get In Touch