AD 202
TL;DR: AD 202 (CAS 105192-72-1) is a chemical compound with molecular formula C40H53NO12 and molecular weight 739.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
AD 202
[2-[4-[4-(dibutylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] pentanoate
Also Known As: AD202 Cpd, AD 202, N,N-Di-(n-butyl)doxorubicin-14-valerate, N,N-Di-(n-butyl)adriamycin-14-valerate, [2-[4-[4-(dibutylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] pentanoate
| Molecular Formula | C40H53NO12 |
|---|---|
| Molecular Weight | 739.36 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 17 |
| Exact Mass | 739.35675 |
| Heavy Atoms | 53 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 105192-72-1 |
|---|---|
| SMILES | CCCCC(=O)OCC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)N(CCCC)CCCC)O |
| InChIKey | ZKZMHCFSSXVOHD-UHFFFAOYSA-N |
Product Overview
AD 202 (CAS 105192-72-1), with molecular formula C40H53NO12 and molecular weight 739.36 g/mol. IUPAC: [2-[4-[4-(dibutylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] pentanoate.
Chemical Property Profile of AD 202
Property Insights of AD 202
The XLogP value of 6.1 indicates that AD 202 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.0 Ų indicates high polarity, suggesting AD 202 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AD 202 has 4 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 AD 202?
The CAS number of AD 202 is 105192-72-1.
What is the molecular formula of AD 202?
The molecular formula of AD 202 is C40H53NO12.
What is the molecular weight of AD 202?
The molecular weight of AD 202 is 739.36 g/mol.
Where can I buy AD 202?
You can request a quote for AD 202 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AD 202?
Yes, KEHONG BIO provides custom synthesis services for AD 202 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.