C35H44N4O10.ClH
TL;DR: C35H44N4O10.ClH (CAS 128948-06-1) is a chemical compound with molecular formula C35H45ClN4O10 and molecular weight 716.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-3-[(E)-N-[(E)-5-hydroxypentan-2-ylideneamino]-C-methylcarbonimidoyl]-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]-N,N-dimethylmethanimidamide;hydrochloride
Also Known As: 3'-Desamino-3'-dimethylformamidinerubomycin 13-(5''-oxypentylidene-2'')hydrazone hydrochloride, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-((4-hydroxy-1-methylbutylidene)hydrazono)ethyl)-1-methoxy-10-((2,3-trideoxy-3-(((dimethylamino)methylene)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, monohydrochloride, (8S-cis)-
| Molecular Formula | C35H45ClN4O10 |
|---|---|
| Molecular Weight | 716.28 g/mol |
| LogP | 3.1022 |
| Topological Polar Surface Area | 203.3 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 716.2824 |
| Heavy Atoms | 50 |
| Complexity | 1727.4749 |
Chemical Identifiers
| CAS Number | 128948-06-1 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/N=C(\C)/CCCO)/C)O)N=CN(C)C)O.Cl |
Product Overview
C35H44N4O10.ClH (CAS 128948-06-1), with molecular formula C35H45ClN4O10 and molecular weight 716.28 g/mol. IUPAC: N'-[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-3-[(E)-N-[(E)-5-hydroxypentan-2-ylideneamino]-C-methylcarbonimidoyl]-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]-N,N-dimethylmethanimidamide;hydrochloride.
Chemical Property Profile of C35H44N4O10.ClH
Property Insights of C35H44N4O10.ClH
The XLogP value of 3.1022 indicates that C35H44N4O10.ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 203.3 Ų indicates high polarity, suggesting C35H44N4O10.ClH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C35H44N4O10.ClH has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C35H44N4O10.ClH?
The CAS number of C35H44N4O10.ClH is 128948-06-1.
What is the molecular formula of C35H44N4O10.ClH?
The molecular formula of C35H44N4O10.ClH is C35H45ClN4O10.
What is the molecular weight of C35H44N4O10.ClH?
The molecular weight of C35H44N4O10.ClH is 716.28 g/mol.
Where can I buy C35H44N4O10.ClH?
You can request a quote for C35H44N4O10.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C35H44N4O10.ClH?
Yes, KEHONG BIO provides custom synthesis services for C35H44N4O10.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.