[email protected]
CAS 39723-40-5 ALATERNIN molecular structure lightbox
CAS RN: 39723-40-5

ALATERNIN

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250121 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS39723-40-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

39723-40-5 / 3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

Standard CAS: 39723-40-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39723-40-5
Multi CAS
Yes
Molecular Formula
C34H42O19
Molecular Weight
754.700000
Exact Mass
754.232029
InChI
InChI=1S/C34H42O19/c1-11-20(37)24(41)26(43)33(49-11)52-30-21(38)12(2)48-32(28(30)45)47-10-18-22(39)25(42)27(44)34(51-18)53-31-23(40)19-16(36)8-15(46-3)9-17(19)50-29(31)13-4-6-14(35)7-5-13/h4-9,11-12,18,20-22,24-28,30,32-39,41-45H,10H2,1-3H3/t11-,12-,18+,20-,21-,22-,24+,25-,26+,27+,28+,30+,32+,33-,34-/m0/s1
InChIKey
MQMTVWHXCSRCER-BZPRNGGBSA-N

Computed Properties

Structural Parameters

Heavy atom count
53
Aromatic heavy atom count
16
Fraction Csp3
0.56
Rotatable bonds
9
H-bond acceptors
19
H-bond donors
10
Molar refractivity
174.64
TPSA
297.12

LogP / Solubility

WLOGP
-2.24
MLOGP
-1.9
XLogP3
-1.7
Consensus LogP
-1.95
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly 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)
-8.91

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us