Substance P (6-11), glu(6)-
TL;DR: Substance P (6-11), glu(6)- (CAS 123064-64-2) is a chemical compound with molecular formula C29H33N5O4 and molecular weight 515.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS)-2-[2-[2-[[(6aS)-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-2-yl]oxy]ethyl-methylamino]ethoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Also Known As: Substance P (6-11), glu(6)-, L-7, (6aS)-2-[2-[2-[[(6aS)-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-2-yl]oxy]ethyl-methylamino]ethoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one, (11aS,11a'S)-7,7'-(((methylazanediyl)bis(ethane-2,1-diyl))bis(oxy))bis(1,2,3,11a-tetrahydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one), 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 7,7'-((methylimino)bis(2,1-ethanediyloxy))bis(1,2,3,11a-tetrahydro-, (11aS,11'aS)-
| Molecular Formula | C29H33N5O4 |
|---|---|
| Molecular Weight | 515.25 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 515.25323 |
| Heavy Atoms | 38 |
| Complexity | 855.0 |
Chemical Identifiers
| CAS Number | 123064-64-2 |
|---|---|
| SMILES | CN(CCOC1=CC2=C(C=C1)N=C[C@@H]3CCCN3C2=O)CCOC4=CC5=C(C=C4)N=C[C@@H]6CCCN6C5=O |
| InChIKey | VFWAHDYMKMHLAA-SFTDATJTSA-N |
Product Overview
Substance P (6-11), glu(6)- (CAS 123064-64-2), with molecular formula C29H33N5O4 and molecular weight 515.25 g/mol. IUPAC: (6aS)-2-[2-[2-[[(6aS)-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-2-yl]oxy]ethyl-methylamino]ethoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one.
Chemical Property Profile of Substance P (6-11), glu(6)-
Property Insights of Substance P (6-11), glu(6)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Substance P (6-11), glu(6)-. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Substance P (6-11), glu(6)-. Following Lipinski's Rule of Five, Substance P (6-11), glu(6)- has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Substance P (6-11), glu(6)-?
The CAS number of Substance P (6-11), glu(6)- is 123064-64-2.
What is the molecular formula of Substance P (6-11), glu(6)-?
The molecular formula of Substance P (6-11), glu(6)- is C29H33N5O4.
What is the molecular weight of Substance P (6-11), glu(6)-?
The molecular weight of Substance P (6-11), glu(6)- is 515.25 g/mol.
Where can I buy Substance P (6-11), glu(6)-?
You can request a quote for Substance P (6-11), glu(6)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Substance P (6-11), glu(6)-?
Yes, KEHONG BIO provides custom synthesis services for Substance P (6-11), glu(6)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.