C36H44N4O9.ClH
TL;DR: C36H44N4O9.ClH (CAS 128948-05-0) is a chemical compound with molecular formula C36H45ClN4O9 and molecular weight 712.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[6-[[3-[(E)-N-(cyclohexylideneamino)-C-methylcarbonimidoyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-N,N-dimethylmethanimidamide;hydrochloride
Also Known As: 3'-Desamino-3'-dimethylformamidinerubomycin 13-cyclohexylidenehydrazone hydrochloride, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-(1-(cyclohexylidenehydrazono)ethyl)-1-methoxy-6,8,11-trihydroxy-10-((2,3,6-trideoxy-3-(((dimethylamino)methylene)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, monohydrochloride, (8S-cis)-
| Molecular Formula | C36H45ClN4O9 |
|---|---|
| Molecular Weight | 712.29 g/mol |
| LogP | 4.2739 |
| Topological Polar Surface Area | 183.07 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 712.28754 |
| Heavy Atoms | 50 |
| Complexity | 1751.2292 |
Chemical Identifiers
| CAS Number | 128948-05-0 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/N=C6CCCCC6)/C)O)N=CN(C)C)O.Cl |
Product Overview
C36H44N4O9.ClH (CAS 128948-05-0), with molecular formula C36H45ClN4O9 and molecular weight 712.29 g/mol. IUPAC: N'-[6-[[3-[(E)-N-(cyclohexylideneamino)-C-methylcarbonimidoyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-N,N-dimethylmethanimidamide;hydrochloride.
Chemical Property Profile of C36H44N4O9.ClH
Property Insights of C36H44N4O9.ClH
The XLogP value of 4.2739 indicates that C36H44N4O9.ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 183.07 Ų indicates high polarity, suggesting C36H44N4O9.ClH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C36H44N4O9.ClH has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C36H44N4O9.ClH?
The CAS number of C36H44N4O9.ClH is 128948-05-0.
What is the molecular formula of C36H44N4O9.ClH?
The molecular formula of C36H44N4O9.ClH is C36H45ClN4O9.
What is the molecular weight of C36H44N4O9.ClH?
The molecular weight of C36H44N4O9.ClH is 712.29 g/mol.
Where can I buy C36H44N4O9.ClH?
You can request a quote for C36H44N4O9.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C36H44N4O9.ClH?
Yes, KEHONG BIO provides custom synthesis services for C36H44N4O9.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.