蝴蝶霉素
TL;DR: 蝴蝶霉素 (CAS 93908-02-2) is a chemical compound with molecular formula C27H21Cl2N3O7 and molecular weight 569.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蝴蝶霉素
5,21-dichloro-3-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
Also Known As: rebeccamycin, NCI60_003256, 1,11-dichloro-12-(4-o-methylhexopyranosyl)-12,13-dihydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6h)-dione, 5,21-Dichloro-3-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione, 5H-Indolo[2,4-c]carbasole-5,7(6H)-dione, 1,11-dichloro-12,13-dihydro-12-(4-O-methyl-.beta.-D-glucopyranosyl)-
| Molecular Formula | C27H21Cl2N3O7 |
|---|---|
| Molecular Weight | 569.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 569.0757 |
| Heavy Atoms | 39 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 93908-02-2 |
|---|---|
| SMILES | COC1C(OC(C(C1O)O)N2C3=C(C=CC=C3Cl)C4=C5C(=C6C7=C(C(=CC=C7)Cl)NC6=C42)C(=O)NC5=O)CO |
| InChIKey | QEHOIJJIZXRMAN-UHFFFAOYSA-N |
Product Overview
蝴蝶霉素 (CAS 93908-02-2), with molecular formula C27H21Cl2N3O7 and molecular weight 569.08 g/mol. IUPAC: 5,21-dichloro-3-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione.
Chemical Property Profile of 蝴蝶霉素
Property Insights of 蝴蝶霉素
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 蝴蝶霉素. The TPSA of 146.0 Ų indicates high polarity, suggesting 蝴蝶霉素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 蝴蝶霉素 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 蝴蝶霉素?
The CAS number of 蝴蝶霉素 is 93908-02-2.
What is the molecular formula of 蝴蝶霉素?
The molecular formula of 蝴蝶霉素 is C27H21Cl2N3O7.
What is the molecular weight of 蝴蝶霉素?
The molecular weight of 蝴蝶霉素 is 569.08 g/mol.
Where can I buy 蝴蝶霉素?
You can request a quote for 蝴蝶霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蝴蝶霉素?
Yes, KEHONG BIO provides custom synthesis services for 蝴蝶霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.