[email protected]
CAS 38395-02-7 caudatin molecular structure lightbox
CAS RN: 38395-02-7

caudatin

Product Availability

Choose a grade to view its available package options.

3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250808 1ml In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250518 1mg Out of stock Inquiry
Batchno.20250807 5mg Out of stock Inquiry
  • Product code: starshine_CAS38395-02-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

38395-02-7 / [(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate

Standard CAS: 38395-02-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
38395-02-7
Multi CAS
Yes
Molecular Formula
C28H42O7
Molecular Weight
490.600000
Exact Mass
490.293054
InChI
InChI=1S/C28H42O7/c1-16(2)17(3)13-23(31)35-22-15-21-24(5)9-8-20(30)14-19(24)7-10-27(21,33)28(34)12-11-26(32,18(4)29)25(22,28)6/h7,13,16,20-22,30,32-34H,8-12,14-15H2,1-6H3/b17-13+/t20-,21+,22+,24-,25+,26+,27-,28+/m0/s1
InChIKey
VWLXIXALPNYWFH-UXGQNDOZSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.79
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
4
Molar refractivity
130.12
TPSA
124.29

LogP / Solubility

WLOGP
2.98
MLOGP
2.66
XLogP3
2.4
Consensus LogP
2.68
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.81
Class (SILICOS-IT)
Slightly soluble

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)
-3.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

Customers Also Viewed

Get In Touch

Contact Us