吲达霉素
TL;DR: 吲达霉素 (CAS 66513-28-8) is a chemical compound with molecular formula C31H43NO4 and molecular weight 493.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吲达霉素
2-[6-[6-[1-ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoic acid
Also Known As: Indamycin, INDANOMYCIN, Antibiotic X 14547, Antibiotic X 14547A, X 14547A
| Molecular Formula | C31H43NO4 |
|---|---|
| Molecular Weight | 493.32 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 79.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 493.3192 |
| Heavy Atoms | 36 |
| Complexity | 876.0 |
Chemical Identifiers
| CAS Number | 66513-28-8 |
|---|---|
| SMILES | CCC1CCC2C1C=CC(C2C(=O)C3=CC=CN3)C=CC=C(CC)C4C(CCC(O4)C(C)C(=O)O)C |
| InChIKey | BAIPOTOKPGDCHA-UHFFFAOYSA-N |
Product Overview
吲达霉素 (CAS 66513-28-8), with molecular formula C31H43NO4 and molecular weight 493.32 g/mol. IUPAC: 2-[6-[6-[1-ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoic acid.
Chemical Property Profile of 吲达霉素
Property Insights of 吲达霉素
The XLogP value of 7.4 indicates that 吲达霉素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 吲达霉素. Following Lipinski's Rule of Five, 吲达霉素 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 吲达霉素?
The CAS number of 吲达霉素 is 66513-28-8.
What is the molecular formula of 吲达霉素?
The molecular formula of 吲达霉素 is C31H43NO4.
What is the molecular weight of 吲达霉素?
The molecular weight of 吲达霉素 is 493.32 g/mol.
Where can I buy 吲达霉素?
You can request a quote for 吲达霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吲达霉素?
Yes, KEHONG BIO provides custom synthesis services for 吲达霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.