CAS RN: 1185841-84-2
Fmoc-l-arg(me)2(pbf)-oh
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251117 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1185841-84-2
- Purity/Analytical Methods: >99.0%
1185841-84-2 / (2S)-5-[[dimethylamino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
Fmoc-l-arg(me)2(pbf)-oh | (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-(((dimethylamino)((2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran)-5-sulfonamido)methylene)amino)pentanoic acid | Fmoc-adma(pbf)-oh
Basic Information
CAS
1185841-84-2
Multi CAS
Yes
Molecular Formula
C36H44N4O7S
Molecular Weight
676.800000
Exact Mass
676.293071
SMILES
CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N(C)C)C
InChI
InChI=1S/C36H44N4O7S/c1-21-22(2)32(23(3)28-19-36(4,5)47-31(21)28)48(44,45)39-34(40(6)7)37-18-12-17-30(33(41)42)38-35(43)46-20-29-26-15-10-8-13-24(26)25-14-9-11-16-27(25)29/h8-11,13-16,29-30H,12,17-20H2,1-7H3,(H,37,39)(H,38,43)(H,41,42)/t30-/m0/s1
InChIKey
QQJCGHJCOJVEGE-PMERELPUSA-N
Synonyms
Fmoc-l-arg(me)2(pbf)-oh
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-(((dimethylamino)((2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran)-5-sulfonamido)methylene)amino)pentanoic acid
Fmoc-adma(pbf)-oh
(2S)-5-[[dimethylamino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
Fmoc-L-Arg(Di-Me,Pbf)-OH
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
18
Fraction Csp3
0.42
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
3
Molar refractivity
184.24
TPSA
146.63
LogP / Solubility
WLOGP
5.29
MLOGP
4.72
XLogP3
5.7
Consensus LogP
5.24
Log S (ESOL)
-6.99
Class (ESOL)
Insoluble
Log S (Ali)
-8.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.65
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.09
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
5.5
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