ANSAMITOCIN DERIV
TL;DR: ANSAMITOCIN DERIV (CAS 72902-38-6) is a chemical compound with molecular formula C31H41ClN2O9 and molecular weight 620.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11-chloro-12,21-dihydroxy-20-methoxy-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 DERIV
| Molecular Formula | C31H41ClN2O9 |
|---|---|
| Molecular Weight | 620.25 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 620.25006 |
| Heavy Atoms | 43 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 72902-38-6 |
|---|---|
| SMILES | CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)O)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=O)O2)O |
| InChIKey | YQVKSZNVVCIETH-UHFFFAOYSA-N |
Product Overview
ANSAMITOCIN DERIV (CAS 72902-38-6), with molecular formula C31H41ClN2O9 and molecular weight 620.25 g/mol. IUPAC: (11-chloro-12,21-dihydroxy-20-methoxy-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 DERIV
Property Insights of ANSAMITOCIN DERIV
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ANSAMITOCIN DERIV. The TPSA of 147.0 Ų indicates high polarity, suggesting ANSAMITOCIN DERIV may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ANSAMITOCIN DERIV has 3 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 DERIV?
The CAS number of ANSAMITOCIN DERIV is 72902-38-6.
What is the molecular formula of ANSAMITOCIN DERIV?
The molecular formula of ANSAMITOCIN DERIV is C31H41ClN2O9.
What is the molecular weight of ANSAMITOCIN DERIV?
The molecular weight of ANSAMITOCIN DERIV is 620.25 g/mol.
Where can I buy ANSAMITOCIN DERIV?
You can request a quote for ANSAMITOCIN DERIV directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ANSAMITOCIN DERIV?
Yes, KEHONG BIO provides custom synthesis services for ANSAMITOCIN DERIV and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.