Ansamitocin P 3
TL;DR: Ansamitocin P 3 (CAS 66547-09-9) is a chemical compound with molecular formula C32H43ClN2O9 and molecular weight 634.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,3S,5S,6S,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-methylpropanoate
Also Known As: Ansamitocin P-3, Ansamitocin P 3, Ansamitocin P3, Ansamitocin P-3 from Actinosynnema pretiosum, Maytansine, 2'-de(acetylmethylamino)-2'-methyl-
| Molecular Formula | C32H43ClN2O9 |
|---|---|
| Molecular Weight | 634.27 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 634.2657 |
| Heavy Atoms | 44 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 66547-09-9 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2C[C@]([C@@H](C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=O)O2)O |
| InChIKey | OPQNCARIZFLNLF-OWOYPUEESA-N |
Product Overview
Ansamitocin P 3 (CAS 66547-09-9), with molecular formula C32H43ClN2O9 and molecular weight 634.27 g/mol. IUPAC: [(1S,2R,3S,5S,6S,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-methylpropanoate.
Chemical Property Profile of Ansamitocin P 3
Property Insights of Ansamitocin P 3
The XLogP value of 3.1 indicates that Ansamitocin P 3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ansamitocin P 3. Following Lipinski's Rule of Five, Ansamitocin P 3 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ansamitocin P 3?
The CAS number of Ansamitocin P 3 is 66547-09-9.
What is the molecular formula of Ansamitocin P 3?
The molecular formula of Ansamitocin P 3 is C32H43ClN2O9.
What is the molecular weight of Ansamitocin P 3?
The molecular weight of Ansamitocin P 3 is 634.27 g/mol.
Where can I buy Ansamitocin P 3?
You can request a quote for Ansamitocin P 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ansamitocin P 3?
Yes, KEHONG BIO provides custom synthesis services for Ansamitocin P 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.