格尔德霉素
TL;DR: 格尔德霉素 (CAS 30562-34-6) is a chemical compound with molecular formula C29H40N2O9 and molecular weight 560.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
格尔德霉素
(13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl) carbamate
Also Known As: geldanamycin, SMP1_000132, 4CA-0563, Geldanamycin from Streptomyces hygroscopicus, U-29135
| Molecular Formula | C29H40N2O9 |
|---|---|
| Molecular Weight | 560.27 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 560.2734 |
| Heavy Atoms | 40 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 30562-34-6 |
|---|---|
| SMILES | CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC |
| InChIKey | QTQAWLPCGQOSGP-UHFFFAOYSA-N |
Product Overview
格尔德霉素 (CAS 30562-34-6), with molecular formula C29H40N2O9 and molecular weight 560.27 g/mol. IUPAC: (13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl) carbamate.
Chemical Property Profile of 格尔德霉素
Property Insights of 格尔德霉素
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 格尔德霉素. The TPSA of 163.0 Ų indicates high polarity, suggesting 格尔德霉素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 格尔德霉素 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 格尔德霉素?
The CAS number of 格尔德霉素 is 30562-34-6.
What is the molecular formula of 格尔德霉素?
The molecular formula of 格尔德霉素 is C29H40N2O9.
What is the molecular weight of 格尔德霉素?
The molecular weight of 格尔德霉素 is 560.27 g/mol.
Where can I buy 格尔德霉素?
You can request a quote for 格尔德霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 格尔德霉素?
Yes, KEHONG BIO provides custom synthesis services for 格尔德霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.