[email protected]
CAS 125720-21-0 FIBRONECTIN ADHESION-PROMOTING PEPTIDE molecular structure lightbox
CAS RN: 125720-21-0

FIBRONECTIN ADHESION-PROMOTING PEPTIDE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250119 1mg / 5mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS125720-21-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

125720-21-0 / (2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoic acid

Standard CAS: 125720-21-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
125720-21-0
Multi CAS
No
Molecular Formula
C47H74N16O10
Molecular Weight
1023.200000
Exact Mass
1022.577383
SMILES
CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)N
InChI
InChI=1S/C47H74N16O10/c1-4-25(2)37(45(72)73)61-41(68)32(14-8-20-55-47(52)53)58-38(65)26(3)57-40(67)31(13-7-19-54-46(50)51)59-42(69)34-15-9-21-62(34)44(71)35-16-10-22-63(35)43(70)33(17-18-36(49)64)60-39(66)29(48)23-27-24-56-30-12-6-5-11-28(27)30/h5-6,11-12,24-26,29,31-35,37,56H,4,7-10,13-23,48H2,1-3H3,(H2,49,64)(H,57,67)(H,58,65)(H,59,69)(H,60,66)(H,61,68)(H,72,73)(H4,50,51,54)(H4,52,53,55)/t25-,26-,29-,31-,32-,33-,34-,35-,37-/m0/s1
InChIKey
OVXIMRGEBNSORH-PJRZOMOUSA-N

Computed Properties

Structural Parameters

Heavy atom count
73
Aromatic heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
28
H-bond acceptors
12
H-bond donors
13
Molar refractivity
270.12
TPSA
437.12

LogP / Solubility

WLOGP
-3.03
MLOGP
-2.57
XLogP3
-4.7
Consensus LogP
-3.43
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.15
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)
-11.12

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

Customers Also Viewed

Get In Touch

Contact Us