[email protected]
CAS 74012-06-9 FMRF molecular structure lightbox
CAS RN: 74012-06-9

FMRF

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260620 5mg / 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS74012-06-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

74012-06-9 / (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

Standard CAS: 74012-06-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74012-06-9
Multi CAS
Yes
Molecular Formula
C29H41N7O5S
Molecular Weight
599.700000
Exact Mass
599.288989
InChI
InChI=1S/C29H41N7O5S/c1-42-16-14-23(34-25(37)21(30)17-19-9-4-2-5-10-19)27(39)35-22(13-8-15-33-29(31)32)26(38)36-24(28(40)41)18-20-11-6-3-7-12-20/h2-7,9-12,21-24H,8,13-18,30H2,1H3,(H,34,37)(H,35,39)(H,36,38)(H,40,41)(H4,31,32,33)/t21-,22-,23-,24-/m0/s1
InChIKey
QXYYONMTJKILDK-ZJZGAYNASA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
18
H-bond acceptors
7
H-bond donors
7
Molar refractivity
164.61
TPSA
215.02

LogP / Solubility

WLOGP
0.14
MLOGP
0.18
XLogP3
-2.2
Consensus LogP
-0.63
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
Class (SILICOS-IT)
Slightly 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)
-6.28

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
6

Customers Also Viewed

Get In Touch

Contact Us