CID 99957
TL;DR: CID 99957 (CAS 66584-72-3) 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.
(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 P3, Ansamitocin P 3, Ansamitosin P3, Maytansinol isobutyrate
| 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 | 66584-72-3 |
|---|---|
| SMILES | CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=O)O2)O |
| InChIKey | OPQNCARIZFLNLF-UHFFFAOYSA-N |
Product Overview
CID 99957 (CAS 66584-72-3), with molecular formula C32H43ClN2O9 and molecular weight 634.27 g/mol. IUPAC: (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 CID 99957
Property Insights of CID 99957
The XLogP value of 3.1 indicates that CID 99957 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 CID 99957. Following Lipinski's Rule of Five, CID 99957 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 CID 99957?
The CAS number of CID 99957 is 66584-72-3.
What is the molecular formula of CID 99957?
The molecular formula of CID 99957 is C32H43ClN2O9.
What is the molecular weight of CID 99957?
The molecular weight of CID 99957 is 634.27 g/mol.
Where can I buy CID 99957?
You can request a quote for CID 99957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 99957?
Yes, KEHONG BIO provides custom synthesis services for CID 99957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.