RefChem:1076251
TL;DR: RefChem:1076251 (CAS 78744-56-6) is a chemical compound with molecular formula C24H31BrN2O8 and molecular weight 554.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9R,10S,13S,14R,16S,18S)-4-bromo-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-14,18-diol;(2R,3R)-2,3-dihydroxybutanedioic acid
Also Known As: 10-Bromosandwicine hydrogen tartrate, Ajmalan-17,21-diol, 10-bromo-, (17S,21-alpha)-, (R-(R*,R*))-2,3-dihydroxybutanedioate(1:1) (salt), 2,3-Dihydroxybutanedioic acid--10-bromoajmalan-17,21-diol (1/1), (2R,3R)-2,3-Dihydroxybutanedioic acid--(17S)-10-bromo-16xi-ajmalan-17,21alpha-diol (1/1), RefChem:1076251
| Molecular Formula | C24H31BrN2O8 |
|---|---|
| Molecular Weight | 554.13 g/mol |
| LogP | 0.1944 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 554.1264 |
| Heavy Atoms | 35 |
| Complexity | 1038.3505 |
Chemical Identifiers
| CAS Number | 78744-56-6 |
|---|---|
| SMILES | CC[C@@H]1[C@H](N2[C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=C5C=C(C=C6)Br)C)[C@H]4O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
Product Overview
RefChem:1076251 (CAS 78744-56-6), with molecular formula C24H31BrN2O8 and molecular weight 554.13 g/mol. IUPAC: (9R,10S,13S,14R,16S,18S)-4-bromo-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-14,18-diol;(2R,3R)-2,3-dihydroxybutanedioic acid.
Chemical Property Profile of RefChem:1076251
Property Insights of RefChem:1076251
The XLogP value of 0.1944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1076251. The TPSA of 162.0 Ų indicates high polarity, suggesting RefChem:1076251 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1076251 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1076251?
The CAS number of RefChem:1076251 is 78744-56-6.
What is the molecular formula of RefChem:1076251?
The molecular formula of RefChem:1076251 is C24H31BrN2O8.
What is the molecular weight of RefChem:1076251?
The molecular weight of RefChem:1076251 is 554.13 g/mol.
Where can I buy RefChem:1076251?
You can request a quote for RefChem:1076251 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1076251?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1076251 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.