Afeletecan Hydrochloride
TL;DR: Afeletecan Hydrochloride (CAS 215604-74-3) is a chemical compound with molecular formula C45H50ClN7O11S and molecular weight 931.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[[(2S)-2-[[4-[(2R,3S,4R,5R,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxyphenyl]carbamothioylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoate;hydrochloride
Also Known As: Afeletecan hydrochloride, Afeletecan HCl, BAY 56-3722, BAY56-3722, BAY 38-3441
| Molecular Formula | C45H50ClN7O11S |
|---|---|
| Molecular Weight | 931.30 g/mol |
| LogP | 3.3745 |
| Topological Polar Surface Area | 237.48 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Exact Mass | 931.2977 |
| Heavy Atoms | 65 |
| Complexity | 2647.352 |
Chemical Identifiers
| CAS Number | 215604-74-3 |
|---|---|
| SMILES | CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)[C@H](C(C)C)NC(=O)[C@H](CC6=CN=CN6)NC(=S)NC7=CC=C(C=C7)O[C@@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)O)OC)O.Cl |
Product Overview
Afeletecan Hydrochloride (CAS 215604-74-3), with molecular formula C45H50ClN7O11S and molecular weight 931.30 g/mol. IUPAC: [(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[[(2S)-2-[[4-[(2R,3S,4R,5R,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxyphenyl]carbamothioylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoate;hydrochloride.
Chemical Property Profile of Afeletecan Hydrochloride
Property Insights of Afeletecan Hydrochloride
The XLogP value of 3.3745 indicates that Afeletecan Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 237.48 Ų indicates high polarity, suggesting Afeletecan Hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Afeletecan Hydrochloride has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Afeletecan Hydrochloride?
The CAS number of Afeletecan Hydrochloride is 215604-74-3.
What is the molecular formula of Afeletecan Hydrochloride?
The molecular formula of Afeletecan Hydrochloride is C45H50ClN7O11S.
What is the molecular weight of Afeletecan Hydrochloride?
The molecular weight of Afeletecan Hydrochloride is 931.30 g/mol.
Where can I buy Afeletecan Hydrochloride?
You can request a quote for Afeletecan Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Afeletecan Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Afeletecan Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.