[email protected]
CAS 38234-21-8 FERTIRELIN molecular structure lightbox
CAS RN: 38234-21-8

FERTIRELIN

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251005 100mg In stock Shanghai Inquiry
Batchno.20250806 250mg In stock Shanghai Inquiry
Batchno.20251207 50mg In stock Shanghai Inquiry
Batchno.20260624 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS38234-21-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

38234-21-8 / (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

Standard CAS: 38234-21-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
38234-21-8
Multi CAS
Yes
Molecular Formula
C55H76N16O12
Molecular Weight
1153.300000
Exact Mass
1152.582862
InChI
InChI=1S/C55H76N16O12/c1-4-59-53(82)44-12-8-20-71(44)54(83)38(11-7-19-60-55(56)57)66-49(78)39(21-30(2)3)65-46(75)27-62-47(76)40(22-31-13-15-34(73)16-14-31)67-52(81)43(28-72)70-50(79)41(23-32-25-61-36-10-6-5-9-35(32)36)68-51(80)42(24-33-26-58-29-63-33)69-48(77)37-17-18-45(74)64-37/h5-6,9-10,13-16,25-26,29-30,37-44,61,72-73H,4,7-8,11-12,17-24,27-28H2,1-3H3,(H,58,63)(H,59,82)(H,62,76)(H,64,74)(H,65,75)(H,66,78)(H,67,81)(H,68,80)(H,69,77)(H,70,79)(H4,56,57,60)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
InChIKey
DGCPIBPDYFLAAX-YTAGXALCSA-N

Computed Properties

Structural Parameters

Heavy atom count
83
Aromatic heavy atom count
20
Fraction Csp3
0.49
Rotatable bonds
30
H-bond acceptors
14
H-bond donors
15
Molar refractivity
301.73
TPSA
431.54

LogP / Solubility

WLOGP
-2.85
MLOGP
-2.4
XLogP3
-1
Consensus LogP
-2.08
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.39
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)
-11.78

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