4-Phenylmethoxydaunorubicin
TL;DR: 4-Phenylmethoxydaunorubicin (CAS 67903-59-7) is a chemical compound with molecular formula C33H33NO10 and molecular weight 603.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-phenylmethoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 4-Phenylmethoxydaunorubicin, J1.683.731H, 3-Acetyl-10-(benzyloxy)-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-naphthacenyl 3-amino-2,3,6-trideoxyhexopyranoside, (1S,3S)-3-Acetyl-10-(benzyloxy)-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside, (7S)-7,8,9,10-Tetrahydro-6,9beta,11-trihydroxy-4-(phenylmethoxy)-7beta-[[(4S)-4alpha-amino-5alpha-hydroxy-3,4,5,6-tetrahydro-6alpha-methyl-2H-pyran]-2beta-yloxy]-9alpha-acetylnaphthacene-5,12-dione
| Molecular Formula | C33H33NO10 |
|---|---|
| Molecular Weight | 603.21 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 603.21045 |
| Heavy Atoms | 44 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 67903-59-7 |
|---|---|
| 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)OCC6=CC=CC=C6)O)(C(=O)C)O)N)O |
| InChIKey | SRILNPQAKDAONQ-PLCAQZSNSA-N |
Product Overview
4-Phenylmethoxydaunorubicin (CAS 67903-59-7), with molecular formula C33H33NO10 and molecular weight 603.21 g/mol. IUPAC: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-phenylmethoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 4-Phenylmethoxydaunorubicin
Property Insights of 4-Phenylmethoxydaunorubicin
The XLogP value of 3.3 indicates that 4-Phenylmethoxydaunorubicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.0 Ų indicates high polarity, suggesting 4-Phenylmethoxydaunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Phenylmethoxydaunorubicin has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Phenylmethoxydaunorubicin?
The CAS number of 4-Phenylmethoxydaunorubicin is 67903-59-7.
What is the molecular formula of 4-Phenylmethoxydaunorubicin?
The molecular formula of 4-Phenylmethoxydaunorubicin is C33H33NO10.
What is the molecular weight of 4-Phenylmethoxydaunorubicin?
The molecular weight of 4-Phenylmethoxydaunorubicin is 603.21 g/mol.
Where can I buy 4-Phenylmethoxydaunorubicin?
You can request a quote for 4-Phenylmethoxydaunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenylmethoxydaunorubicin?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenylmethoxydaunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.