杜卡霉素
TL;DR: 杜卡霉素 (CAS 118072-93-8) is a chemical compound with molecular formula C26H27N3O8 and molecular weight 509.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
杜卡霉素
methyl 4-hydroxy-2,8-dimethyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
Also Known As: Duocarmycin, Zoledronic acid, Phosphonic acid, P,P'-[1-hydroxy-2-(1H-imidazol-1-yl)ethylidene]bis-, methyl 4-hydroxy-2,8-dimethyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate, methyl 4-hydroxy-2,8-dimethyl-1-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-1,2,3,6,7,8-hexahydropyrrolo[3,2-e]indole-2-carboxylate
| Molecular Formula | C26H27N3O8 |
|---|---|
| Molecular Weight | 509.18 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 509.1798 |
| Heavy Atoms | 37 |
| Complexity | 933.0 |
Chemical Identifiers
| CAS Number | 118072-93-8 |
|---|---|
| SMILES | CC1CN(C2=CC(=C3C(=C12)C(=O)C(N3)(C)C(=O)OC)O)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC |
| InChIKey | WQAYQZWERWNDPV-UHFFFAOYSA-N |
Product Overview
杜卡霉素 (CAS 118072-93-8), with molecular formula C26H27N3O8 and molecular weight 509.18 g/mol. IUPAC: methyl 4-hydroxy-2,8-dimethyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate.
Chemical Property Profile of 杜卡霉素
Property Insights of 杜卡霉素
The XLogP value of 3.2 indicates that 唑來磷酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 杜卡霉素. Following Lipinski's Rule of Five, 唑來磷酸 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 唑來磷酸?
The CAS number of 唑來磷酸 is 118072-93-8.
What is the molecular formula of 唑來磷酸?
The molecular formula of 唑來磷酸 is C26H27N3O8.
What is the molecular weight of 唑來磷酸?
The molecular weight of 唑來磷酸 is 509.18 g/mol.
Where can I buy 唑來磷酸?
You can request a quote for 唑來磷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 唑來磷酸?
Yes, KEHONG BIO provides custom synthesis services for 唑來磷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.