CAS RN: 65147-09-3

BOC-LEU-GLY-ARG-AMC ACETATE SALT

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Batchno.20260516 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS65147-09-3
  • Purity/Analytical Methods: >99.0%
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65147-09-3 / tert-butyl N-[1-[[2-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

Standard CAS: 65147-09-3 Multi CAS: Yes

Basic Information

CAS
65147-09-3
Multi CAS
Yes
Molecular Formula
C29H43N7O7
Molecular Weight
601.700000
Exact Mass
601.322397
InChI
InChI=1S/C29H43N7O7/c1-16(2)12-21(36-28(41)43-29(4,5)6)25(39)33-15-23(37)35-20(8-7-11-32-27(30)31)26(40)34-18-9-10-19-17(3)13-24(38)42-22(19)14-18/h9-10,13-14,16,20-21H,7-8,11-12,15H2,1-6H3,(H,33,39)(H,34,40)(H,35,37)(H,36,41)(H4,30,31,32)/t20-,21-/m0/s1
InChIKey
DLAQYOHJZUTWDJ-SFTDATJTSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
10
Fraction Csp3
0.52
Rotatable bonds
13
H-bond acceptors
8
H-bond donors
6
Molar refractivity
163.31
TPSA
220.24

LogP / Solubility

WLOGP
1.63
MLOGP
1.49
XLogP3
1.4
Consensus LogP
1.51
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.49
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)
-5.23

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
5

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