1,5-dibromo-3,3-dimethyl-2,4-pentanedione
TL;DR: 1,5-dibromo-3,3-dimethyl-2,4-pentanedione (CAS 63519-99-3) is a chemical compound with molecular formula C50H70N10O16S2 and molecular weight 1130.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[6,19-bis(acetamidomethylsulfanylmethyl)-9,22-dimethyl-2,5,8,11,15,18,21,24-octaoxo-25-(phenylmethoxycarbonylamino)-3,16-dipropyl-1,14-dioxa-4,7,10,17,20,23-hexazacyclohexacos-12-yl]carbamate
Also Known As: 1,5-dibromo-3,3-dimethyl-2,4-pentanedione, benzyl N-[6,19-bis(acetamidomethylsulfanylmethyl)-9,22-dimethyl-2,5,8,11,15,18,21,24-octaoxo-25-(phenylmethoxycarbonylamino)-3,16-dipropyl-1,14-dioxa-4,7,10,17,20,23-hexazacyclohexacos-12-yl]carbamate, L-Valine, N-((phenylmethoxy)carbonyl)-D-seryl-L-alanyl-S-((acetylamino)methyl)-L-cysteinyl-, bimol. (4->1'),(4'->1)-dilactone, BENZYL N-[6,19-BIS(ACETAMIDOMETHYLSULFANYLMETHYL)-9,22-DIMETHYL-2,5,8,11,15,18,21,24-OCTAOXO-25-PHENYLMETHOXYCARBONYLAMINO-3,16-DIPROPYL-1,14-DIOXA-4,7,10,17,20,23-HEXAZACYCLOHEXACOS-12-YL]CARBAMATE, Cbz-DL-Ser(1)-DL-Ala-DL-Cys(Acm)-DL-Nva-(2).Cbz-DL-Ser(2)-DL-Ala-DL-Cys(Acm)-DL-Nva-(1)
| Molecular Formula | C50H70N10O16S2 |
|---|---|
| Molecular Weight | 1130.44 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 413.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 20 |
| Exact Mass | 1130.4413 |
| Heavy Atoms | 78 |
| Complexity | 1910.0 |
Chemical Identifiers
| CAS Number | 63519-99-3 |
|---|---|
| SMILES | CCCC1C(=O)OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)OCC(C(=O)NC(C(=O)NC(C(=O)N1)CSCNC(=O)C)C)NC(=O)OCC2=CC=CC=C2)CCC)CSCNC(=O)C)C)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | RGTJWMOWQIGAOK-UHFFFAOYSA-N |
Product Overview
1,5-dibromo-3,3-dimethyl-2,4-pentanedione (CAS 63519-99-3), with molecular formula C50H70N10O16S2 and molecular weight 1130.44 g/mol. IUPAC: benzyl N-[6,19-bis(acetamidomethylsulfanylmethyl)-9,22-dimethyl-2,5,8,11,15,18,21,24-octaoxo-25-(phenylmethoxycarbonylamino)-3,16-dipropyl-1,14-dioxa-4,7,10,17,20,23-hexazacyclohexacos-12-yl]carbamate.
Chemical Property Profile of 1,5-dibromo-3,3-dimethyl-2,4-pentanedione
Property Insights of 1,5-dibromo-3,3-dimethyl-2,4-pentanedione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-dibromo-3,3-dimethyl-2,4-pentanedione. The TPSA of 413.0 Ų indicates high polarity, suggesting 1,5-dibromo-3,3-dimethyl-2,4-pentanedione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,5-dibromo-3,3-dimethyl-2,4-pentanedione has 10 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,5-dibromo-3,3-dimethyl-2,4-pentanedione?
The CAS number of 1,5-dibromo-3,3-dimethyl-2,4-pentanedione is 63519-99-3.
What is the molecular formula of 1,5-dibromo-3,3-dimethyl-2,4-pentanedione?
The molecular formula of 1,5-dibromo-3,3-dimethyl-2,4-pentanedione is C50H70N10O16S2.
What is the molecular weight of 1,5-dibromo-3,3-dimethyl-2,4-pentanedione?
The molecular weight of 1,5-dibromo-3,3-dimethyl-2,4-pentanedione is 1130.44 g/mol.
Where can I buy 1,5-dibromo-3,3-dimethyl-2,4-pentanedione?
You can request a quote for 1,5-dibromo-3,3-dimethyl-2,4-pentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-dibromo-3,3-dimethyl-2,4-pentanedione?
Yes, KEHONG BIO provides custom synthesis services for 1,5-dibromo-3,3-dimethyl-2,4-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.