博来霉酸
TL;DR: 博来霉酸 (CAS 37364-66-2) is a chemical compound with molecular formula C50H72N16O22S2 and molecular weight 1312.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
博来霉酸
2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid
Also Known As: Bleomycin acid, Bleomycinic acid, bleomycin G, Bleomycin impurity 4, RefChem:120646
| Molecular Formula | C50H72N16O22S2 |
|---|---|
| Molecular Weight | 1312.44 g/mol |
| LogP | -10.5 |
| Topological Polar Surface Area | 692.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 32 |
| Rotatable Bonds | 32 |
| Exact Mass | 1312.4448 |
| Heavy Atoms | 90 |
| Complexity | 2450.0 |
Chemical Identifiers
| CAS Number | 37364-66-2 |
|---|---|
| SMILES | CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)O)O |
| InChIKey | MRNLLBXPSWMYCK-UHFFFAOYSA-N |
Product Overview
博来霉酸 (CAS 37364-66-2), with molecular formula C50H72N16O22S2 and molecular weight 1312.44 g/mol. IUPAC: 2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid.
Chemical Property Profile of 博来霉酸
Property Insights of 博来霉酸
The XLogP value of -10.5 indicates that 博来霉酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 692.0 Ų indicates high polarity, suggesting 博来霉酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 博来霉酸 has 20 hydrogen bond donor(s) and 32 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 博来霉酸?
The CAS number of 博来霉酸 is 37364-66-2.
What is the molecular formula of 博来霉酸?
The molecular formula of 博来霉酸 is C50H72N16O22S2.
What is the molecular weight of 博来霉酸?
The molecular weight of 博来霉酸 is 1312.44 g/mol.
Where can I buy 博来霉酸?
You can request a quote for 博来霉酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 博来霉酸?
Yes, KEHONG BIO provides custom synthesis services for 博来霉酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.