[email protected]
CAS 467214-20-6 Alvespimycin molecular structure lightbox
CAS RN: 467214-20-6

Alvespimycin

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250722 100mg In stock Inquiry
Batchno.20260219 25mg In stock Inquiry
  • Product code: starshine_CAS467214-20-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

467214-20-6 / [19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

Standard CAS: 467214-20-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
467214-20-6
Multi CAS
Yes
Molecular Formula
C32H48N4O8
Molecular Weight
616.700000
Exact Mass
616.347215
InChI
InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1
InChIKey
KUFRQPKVAWMTJO-LMZWQJSESA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Fraction Csp3
0.56
Rotatable bonds
7
H-bond acceptors
10
H-bond donors
4
Molar refractivity
166.1
TPSA
169.52

LogP / Solubility

WLOGP
1.91
MLOGP
1.73
XLogP3
2
Consensus LogP
1.88
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.1
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us