[email protected]
CAS 142479-13-8 CEF8 molecular structure lightbox
CAS RN: 142479-13-8

CEF8

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260213 5mg / 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS142479-13-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

142479-13-8 / (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Standard CAS: 142479-13-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142479-13-8
Multi CAS
No
Molecular Formula
C54H85N19O13
Molecular Weight
1208.400000
Exact Mass
1207.657424
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)N
InChI
InChI=1S/C54H85N19O13/c1-5-27(2)41(49(83)68-37(14-9-21-63-53(58)59)46(80)73-42(29(4)75)50(84)69-38(51(85)86)15-10-22-64-54(60)61)72-43(77)28(3)66-47(81)40(24-31-25-65-35-12-7-6-11-33(31)35)71-48(82)39(23-30-16-18-32(76)19-17-30)70-45(79)36(13-8-20-62-52(56)57)67-44(78)34(55)26-74/h6-7,11-12,16-19,25,27-29,34,36-42,65,74-76H,5,8-10,13-15,20-24,26,55H2,1-4H3,(H,66,81)(H,67,78)(H,68,83)(H,69,84)(H,70,79)(H,71,82)(H,72,77)(H,73,80)(H,85,86)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t27-,28-,29+,34-,36-,37-,38-,39-,40-,41-,42-/m0/s1
InChIKey
RSAAOPBSIPAHOK-NHUGIYAUSA-N

Computed Properties

Structural Parameters

Heavy atom count
86
Aromatic heavy atom count
15
Fraction Csp3
0.52
Rotatable bonds
37
H-bond acceptors
16
H-bond donors
20
Molar refractivity
318.5
TPSA
565.8

LogP / Solubility

WLOGP
-5.45
MLOGP
-4.68
XLogP3
-6
Consensus LogP
-5.38
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.43
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-13.96

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
9.5

Customers Also Viewed

Get In Touch

Contact Us