C28H32N4O9S.ClH
TL;DR: C28H32N4O9S.ClH (CAS 64439-46-9) is a chemical compound with molecular formula C28H33ClN4O9S and molecular weight 636.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1-[(2S,4R)-4-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]thiourea;hydrochloride
Also Known As: Daunomycin thiosemicarbazone hydrochloride, Hydrazinecarbothioamide, 2-(1-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)ethylidene)-, monohydrochloride, (2S-trans)-, Hydrazinecarbothioamide, 2-[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]-, monohydrochloride, (2S-trans)-
| Molecular Formula | C28H33ClN4O9S |
|---|---|
| Molecular Weight | 636.17 g/mol |
| LogP | 1.0708 |
| Topological Polar Surface Area | 219.18 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 636.16565 |
| Heavy Atoms | 43 |
| Complexity | 1524.2806 |
Chemical Identifiers
| CAS Number | 64439-46-9 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C[C@H](O1)O[C@@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/NC(=S)N)/C)O)N)O.Cl |
Product Overview
C28H32N4O9S.ClH (CAS 64439-46-9), with molecular formula C28H33ClN4O9S and molecular weight 636.17 g/mol. IUPAC: [(E)-1-[(2S,4R)-4-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]thiourea;hydrochloride.
Chemical Property Profile of C28H32N4O9S.ClH
Property Insights of C28H32N4O9S.ClH
The XLogP value of 1.0708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C28H32N4O9S.ClH. The TPSA of 219.18 Ų indicates high polarity, suggesting C28H32N4O9S.ClH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C28H32N4O9S.ClH has 7 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 C28H32N4O9S.ClH?
The CAS number of C28H32N4O9S.ClH is 64439-46-9.
What is the molecular formula of C28H32N4O9S.ClH?
The molecular formula of C28H32N4O9S.ClH is C28H33ClN4O9S.
What is the molecular weight of C28H32N4O9S.ClH?
The molecular weight of C28H32N4O9S.ClH is 636.17 g/mol.
Where can I buy C28H32N4O9S.ClH?
You can request a quote for C28H32N4O9S.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H32N4O9S.ClH?
Yes, KEHONG BIO provides custom synthesis services for C28H32N4O9S.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.