Ansamitocin P-0
TL;DR: Ansamitocin P-0 (CAS 57103-68-1) is a chemical compound with molecular formula C28H37ClN2O8 and molecular weight 564.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaene-8,23-dione
Also Known As: Ansamitocin P-0, MAYTANSINOL, Maytansine, O3-de2-(acetylmethylamino)-1-oxopropyl-, Maytansine, O3-de[2-(acetylmethylamino)-1-oxopropyl]-, (3E,5E,7R,84S)-14-chloro-10t,11c-epoxy-84,12c-dihydroxy-15,7r-dimethoxy-3,9c,11t,15-tetramethyl-(84r'H,86c'H)-15-aza-1(1,3)-benzena-8(4,6)-[1,3]oxazinana-cyclopentadecaphane-3,5-diene-82,14-dione
| Molecular Formula | C28H37ClN2O8 |
|---|---|
| Molecular Weight | 564.22 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 564.2238 |
| Heavy Atoms | 39 |
| Complexity | 993.0 |
Chemical Identifiers
| CAS Number | 57103-68-1 |
|---|---|
| SMILES | CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)O)C)C)OC)(NC(=O)O2)O |
| InChIKey | QWPXBEHQFHACTK-UHFFFAOYSA-N |
Product Overview
Ansamitocin P-0 (CAS 57103-68-1), with molecular formula C28H37ClN2O8 and molecular weight 564.22 g/mol. IUPAC: 11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaene-8,23-dione.
Chemical Property Profile of Ansamitocin P-0
Property Insights of Ansamitocin P-0
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ansamitocin P-0. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ansamitocin P-0. Following Lipinski's Rule of Five, Ansamitocin P-0 has 3 hydrogen bond donor(s) and 8 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-0?
The CAS number of Ansamitocin P-0 is 57103-68-1.
What is the molecular formula of Ansamitocin P-0?
The molecular formula of Ansamitocin P-0 is C28H37ClN2O8.
What is the molecular weight of Ansamitocin P-0?
The molecular weight of Ansamitocin P-0 is 564.22 g/mol.
Where can I buy Ansamitocin P-0?
You can request a quote for Ansamitocin P-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ansamitocin P-0?
Yes, KEHONG BIO provides custom synthesis services for Ansamitocin P-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.